Nitrogen

from display import display_case_module

from cases import nitrogen_cases

display_case_module(nitrogen_cases)

Identifier: CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C

UNIFAC Result: {'CH3': 3, 'CH2': 4, 'CH': 1, 'C': 2, 'NCO': 2}

PSRK Result: {}

Joback Result: {'-CH3': 3, '-CH2-': 1, '=C=': 2, 'ring-CH2-': 3, 'ring>CH-': 1, 'ring>C<': 2, '=O (other than above)': 2, '-N= (non-ring)': 2}

Identifier: CC(=O)N

UNIFAC Result: {'CH3': 1, 'AMH2': 1}

PSRK Result: {'CH3': 1, 'AMH2': 1}

Joback Result: {'-CH3': 1, '>C=O (non-ring)': 1, '-NH2': 1}

Identifier: CC(=O)NC

UNIFAC Result: {'CH3': 1, 'AMHCH3': 1}

PSRK Result: {'CH3': 1, 'AMHCH3': 1}

Joback Result: {'-CH3': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 1}

Identifier: CCNC(=O)C

UNIFAC Result: {'CH3': 2, 'AMHCH2': 1}

PSRK Result: {'CH3': 2, 'AMHCH2': 1}

Joback Result: {'-CH3': 2, '-CH2-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1}

Identifier: CC(=O)N(C)C

UNIFAC Result: {'CH3': 1, 'AM(CH3)2': 1}

PSRK Result: {'CH3': 1, 'AM(CH3)2': 1}

Joback Result: {'-CH3': 3, '>C=O (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(C)C(=O)C

UNIFAC Result: {'CH3': 2, 'AMCH3CH2': 1}

PSRK Result: {'CH3': 2, 'AMCH3CH2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 1, '>C=O (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(CC)C(=O)C

UNIFAC Result: {'CH3': 3, 'AM(CH2)2': 1}

PSRK Result: {'CH3': 3, 'AM(CH2)2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 2, '>C=O (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(C(C)C)C(=O)NC(C)C

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'-CH3': 5, '-CH2-': 1, '>CH-': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CC(C)NC(=O)N(C)C(C)C

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'-CH3': 5, '>CH-': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(CC)C(=O)NC(C)C

UNIFAC Result: {'CH3': 4, 'CHNH': 1, 'AM(CH2)2': 1}

PSRK Result: {'CH3': 4, 'CHNH': 1, 'AM(CH2)2': 1}

Joback Result: {'-CH3': 4, '-CH2-': 2, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(C)C(=O)NC(C)C

UNIFAC Result: {'CH3': 3, 'CHNH': 1, 'AMCH3CH2': 1}

PSRK Result: {'CH3': 3, 'CHNH': 1, 'AMCH3CH2': 1}

Joback Result: {'-CH3': 4, '-CH2-': 1, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CC(C)NC(=O)N(C)C

UNIFAC Result: {'CH3': 2, 'CHNH': 1, 'AM(CH3)2': 1}

PSRK Result: {'CH3': 2, 'CHNH': 1, 'AM(CH3)2': 1}

Joback Result: {'-CH3': 4, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCNC(=O)N(CC)C(C)C

UNIFAC Result: {'CH3': 4, 'CH': 1, 'CH2N': 1, 'AMHCH2': 1}

PSRK Result: {'CH3': 4, 'CH': 1, 'CH2N': 1, 'AMHCH2': 1}

Joback Result: {'-CH3': 4, '-CH2-': 2, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCNC(=O)N(C)C(C)C

UNIFAC Result: {'CH3': 3, 'CH': 1, 'CH3N': 1, 'AMHCH2': 1}

PSRK Result: {'CH3': 3, 'CH': 1, 'CH3N': 1, 'AMHCH2': 1}

Joback Result: {'-CH3': 4, '-CH2-': 1, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCNC(=O)N(CC)CC

UNIFAC Result: {'CH3': 3, 'CH2NH': 1, 'AM(CH2)2': 1}

PSRK Result: {'CH3': 3, 'CH2NH': 1, 'AM(CH2)2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 3, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCNC(=O)N(C)CC

UNIFAC Result: {'CH3': 2, 'CH2NH': 1, 'AMCH3CH2': 1}

PSRK Result: {'CH3': 2, 'CH2NH': 1, 'AMCH3CH2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCNC(=O)N(C)C

UNIFAC Result: {'CH2NH': 1, 'AM(CH3)2': 1, 'CH3': 1}

PSRK Result: {'CH2NH': 1, 'AM(CH3)2': 1, 'CH3': 1}

Joback Result: {'-CH3': 3, '-CH2-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(C(C)C)C(=O)NC

UNIFAC Result: {'CH3': 3, 'CH': 1, 'CH2N': 1, 'AMHCH3': 1}

PSRK Result: {'CH3': 3, 'CH': 1, 'CH2N': 1, 'AMHCH3': 1}

Joback Result: {'-CH3': 4, '-CH2-': 1, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CNC(=O)N(C)C(C)C

UNIFAC Result: {'CH3': 2, 'CH': 1, 'CH3N': 1, 'AMHCH3': 1}

PSRK Result: {'CH3': 2, 'CH': 1, 'CH3N': 1, 'AMHCH3': 1}

Joback Result: {'-CH3': 4, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(CC)C(=O)NC

UNIFAC Result: {'CH3': 2, 'CH3NH': 1, 'AM(CH2)2': 1}

PSRK Result: {'CH3': 2, 'CH3NH': 1, 'AM(CH2)2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(C)C(=O)NC

UNIFAC Result: {'CH3': 1, 'CH3NH': 1, 'AMCH3CH2': 1}

PSRK Result: {'CH3': 1, 'CH3NH': 1, 'AMCH3CH2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CNC(=O)N(C)C

UNIFAC Result: {'CH3NH': 1, 'AM(CH3)2': 1}

PSRK Result: {'CH3NH': 1, 'AM(CH3)2': 1}

Joback Result: {'-CH3': 3, '>C=O (non-ring)': 1, '>NH (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CC(C)NC(=O)NC(C)C

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'-CH3': 4, '>CH-': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 2}

Identifier: CCNC(=O)NC(C)C

UNIFAC Result: {'CH3': 3, 'CHNH': 1, 'AMHCH2': 1}

PSRK Result: {'CH3': 3, 'CHNH': 1, 'AMHCH2': 1}

Joback Result: {'-CH3': 3, '-CH2-': 1, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 2}

Identifier: CCNC(=O)NCC

UNIFAC Result: {'CH3': 2, 'CH2NH': 1, 'AMHCH2': 1}

PSRK Result: {'CH3': 2, 'CH2NH': 1, 'AMHCH2': 1}

Joback Result: {'-CH3': 2, '-CH2-': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 2}

Identifier: CNC(=O)NC(C)C

UNIFAC Result: {'CH3': 2, 'CHNH': 1, 'AMHCH3': 1}

PSRK Result: {'CH3': 2, 'CHNH': 1, 'AMHCH3': 1}

Joback Result: {'-CH3': 3, '>CH-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 2}

Identifier: CCNC(=O)NC

UNIFAC Result: [{'CH2NH': 1, 'AMHCH3': 1, 'CH3': 1}, {'CH3': 1, 'CH3NH': 1, 'AMHCH2': 1}]

PSRK Result: [{'CH2NH': 1, 'AMHCH3': 1, 'CH3': 1}, {'CH3': 1, 'CH3NH': 1, 'AMHCH2': 1}]

Joback Result: {'-CH3': 2, '-CH2-': 1, '>C=O (non-ring)': 1, '>NH (non-ring)': 2}

Identifier: CNC(=O)NC

UNIFAC Result: {'CH3NH': 1, 'AMHCH3': 1}

PSRK Result: {'CH3NH': 1, 'AMHCH3': 1}

Joback Result: {'-CH3': 2, '>C=O (non-ring)': 1, '>NH (non-ring)': 2}

Identifier: CN

UNIFAC Result: {'CH3NH2': 1}

PSRK Result: {'CH3NH2': 1}

Joback Result: {'-CH3': 1, '-NH2': 1}

Identifier: CC(C)N

UNIFAC Result: {'CH3': 2, 'CHNH2': 1}

PSRK Result: {'CH3': 2, 'CHNH2': 1}

Joback Result: {'-CH3': 2, '>CH-': 1, '-NH2': 1}

Identifier: CCCN

UNIFAC Result: {'CH3': 1, 'CH2': 1, 'CH2NH2': 1}

PSRK Result: {'CH3': 1, 'CH2': 1, 'CH2NH2': 1}

Joback Result: {'-CH3': 1, '-CH2-': 2, '-NH2': 1}

Identifier: COC1=C(OC)C2=C3C(CC22CCC(=O)C=C2)NCCC3=C1

UNIFAC Result: {'CH2': 2, 'C': 1, 'CH=CH': 1, 'ACH': 1, 'AC': 3, 'ACCH2': 1, 'ACCH': 1, 'CH2CO': 1, 'CH3O': 2, 'CH2NH': 1}

PSRK Result: {'CH2': 2, 'C': 1, 'CH=CH': 1, 'ACH': 1, 'AC': 3, 'ACCH2': 1, 'ACCH': 1, 'CH2CO': 1, 'CH3O': 2, 'CH2NH': 1}

Joback Result: {'-CH3': 2, 'ring-CH2-': 5, 'ring>CH-': 1, 'ring>C<': 1, 'ring=CH-': 3, 'ring=C<': 5, '-O- (non-ring)': 2, '>C=O (ring)': 1, '>NH (ring)': 1}

Identifier: C1C2=C(C=CN1)C3=CC=CC=C3N2

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'ring-CH2-': 1, 'ring=CH-': 6, 'ring=C<': 4, '>NH (ring)': 2}

Identifier: CC(C)N(CN)C(C)C

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'-CH3': 4, '-CH2-': 1, '>CH-': 2, '-NH2': 1, '>N- (non-ring)': 1}

Identifier: CC(C)N(C)CN

UNIFAC Result: {'CH3': 2, 'CH': 1, 'CH2NH2': 1, 'CH3N': 1}

PSRK Result: {'CH3': 2, 'CH': 1, 'CH2NH2': 1, 'CH3N': 1}

Joback Result: {'-CH3': 3, '-CH2-': 1, '>CH-': 1, '-NH2': 1, '>N- (non-ring)': 1}

Identifier: CC(C)NC(C)NC(C)(C)C

UNIFAC Result: {'CH3': 6, 'C': 1, 'CHNH': 2}

PSRK Result: {'CH3': 6, 'C': 1, 'CHNH': 2}

Joback Result: {'-CH3': 6, '>CH-': 2, '>C<': 1, '>NH (non-ring)': 2}

Identifier: CC(C)NC(C)N

UNIFAC Result: {'CH3': 3, 'CHNH2': 1, 'CHNH': 1}

PSRK Result: {'CH3': 3, 'CHNH2': 1, 'CHNH': 1}

Joback Result: {'-CH3': 3, '>CH-': 2, '-NH2': 1, '>NH (non-ring)': 1}

Identifier: CCC(C)(C)NC(C)C

UNIFAC Result: {'CH3': 5, 'CH2': 1, 'C': 1, 'CHNH': 1}

PSRK Result: {'CH3': 5, 'CH2': 1, 'C': 1, 'CHNH': 1}

Joback Result: {'-CH3': 5, '-CH2-': 1, '>CH-': 1, '>C<': 1, '>NH (non-ring)': 1}

Identifier: CCNC(C)CC

UNIFAC Result: [{'CH3': 3, 'CH2': 2, 'CHNH': 1}, {'CH3': 3, 'CH2': 1, 'CH': 1, 'CH2NH': 1}]

PSRK Result: [{'CH3': 3, 'CH2': 2, 'CHNH': 1}, {'CH3': 3, 'CH2': 1, 'CH': 1, 'CH2NH': 1}]

Joback Result: {'-CH3': 3, '-CH2-': 2, '>CH-': 1, '>NH (non-ring)': 1}

Identifier: CCCNC

UNIFAC Result: [{'CH3': 2, 'CH2': 1, 'CH2NH': 1}, {'CH3': 1, 'CH2': 2, 'CH3NH': 1}]

PSRK Result: [{'CH3': 2, 'CH2': 1, 'CH2NH': 1}, {'CH3': 1, 'CH2': 2, 'CH3NH': 1}]

Joback Result: {'-CH3': 2, '-CH2-': 2, '>NH (non-ring)': 1}

Identifier: CN1CCCC1CC(=O)CC1CCCN1C

UNIFAC Result: [{'CH3': 1, 'CH2': 6, 'CH': 2, 'CH2CO': 1, 'CH3N': 1, 'CH2N': 1}, {'CH2': 7, 'CH': 2, 'CH2CO': 1, 'CH3N': 2}, {'CH3': 2, 'CH2': 5, 'CH': 2, 'CH2CO': 1, 'CH2N': 2}]

PSRK Result: [{'CH3': 1, 'CH2': 6, 'CH': 2, 'CH2CO': 1, 'CH3N': 1, 'CH2N': 1}, {'CH2': 7, 'CH': 2, 'CH2CO': 1, 'CH3N': 2}, {'CH3': 2, 'CH2': 5, 'CH': 2, 'CH2CO': 1, 'CH2N': 2}]

Joback Result: {}

Identifier: CNC

UNIFAC Result: {'CH3': 1, 'CH3NH': 1}

PSRK Result: {'CH3': 1, 'CH3NH': 1}

Joback Result: {'-CH3': 2, '>NH (non-ring)': 1}

Identifier: CCNCC

UNIFAC Result: {'CH3': 2, 'CH2': 1, 'CH2NH': 1}

PSRK Result: {'CH3': 2, 'CH2': 1, 'CH2NH': 1}

Joback Result: {'-CH3': 2, '-CH2-': 2, '>NH (non-ring)': 1}

Identifier: CC(C)NC(C)C

UNIFAC Result: {'CH3': 4, 'CH': 1, 'CHNH': 1}

PSRK Result: {'CH3': 4, 'CH': 1, 'CHNH': 1}

Joback Result: {'-CH3': 4, '>CH-': 2, '>NH (non-ring)': 1}

Identifier: CC(C)NCN

UNIFAC Result: {'CH3': 2, 'CH2NH2': 1, 'CHNH': 1}

PSRK Result: {'CH3': 2, 'CH2NH2': 1, 'CHNH': 1}

Joback Result: {'-CH3': 2, '-CH2-': 1, '>CH-': 1, '-NH2': 1, '>NH (non-ring)': 1}

Identifier: C1CN2CCC1CC2

UNIFAC Result: {'CH2': 5, 'CH': 1, 'CH2N': 1}

PSRK Result: {'CH2': 5, 'CH': 1, 'CH2N': 1}

Joback Result: {}

Identifier: CCN(CC(=O)CC)C1=CC=CC=C1

UNIFAC Result: {'CH3': 2, 'CH2': 1, 'ACH': 5, 'AC': 1, 'CH2CO': 1, 'CH2N': 1}

PSRK Result: {'CH3': 2, 'CH2': 1, 'ACH': 5, 'AC': 1, 'CH2CO': 1, 'CH2N': 1}

Joback Result: {'-CH3': 2, '-CH2-': 3, 'ring=CH-': 5, 'ring=C<': 1, '>C=O (non-ring)': 1, '>N- (non-ring)': 1}

Identifier: CCN(C(C)C)C(C)C

UNIFAC Result: {'CH3': 5, 'CH': 2, 'CH2N': 1}

PSRK Result: {'CH3': 5, 'CH': 2, 'CH2N': 1}

Joback Result: {'-CH3': 5, '-CH2-': 1, '>CH-': 2, '>N- (non-ring)': 1}

Identifier: CCN(C)CC

UNIFAC Result: [{'CH3': 2, 'CH2': 2, 'CH3N': 1}, {'CH3': 3, 'CH2': 1, 'CH2N': 1}]

PSRK Result: [{'CH3': 2, 'CH2': 2, 'CH3N': 1}, {'CH3': 3, 'CH2': 1, 'CH2N': 1}]

Joback Result: {'-CH3': 3, '-CH2-': 2, '>N- (non-ring)': 1}

Identifier: CN(C)C

UNIFAC Result: {'CH3': 2, 'CH3N': 1}

PSRK Result: {'CH3': 2, 'CH3N': 1}

Joback Result: {'-CH3': 3, '>N- (non-ring)': 1}

Identifier: CCN(CC)CC

UNIFAC Result: {'CH3': 3, 'CH2': 2, 'CH2N': 1}

PSRK Result: {'CH3': 3, 'CH2': 2, 'CH2N': 1}

Joback Result: {'-CH3': 3, '-CH2-': 3, '>N- (non-ring)': 1}

Identifier: C1=CC=C(C=C1)N

UNIFAC Result: {'ACH': 5, 'ACNH2': 1}

PSRK Result: {'ACH': 5, 'ACNH2': 1}

Joback Result: {'ring=CH-': 5, 'ring=C<': 1, '-NH2': 1}

Identifier: C1=CC2=C(C=C1)C1=C(C=NC=C1)C1=C2C=CC=C1

UNIFAC Result: {'ACH': 8, 'AC': 4, 'C5H3N': 1}

PSRK Result: {'ACH': 8, 'AC': 4, 'C5H3N': 1}

Joback Result: {'ring=CH-': 11, 'ring=C<': 6, '-N= (ring)': 1}

Identifier: CC1=CC(C)=CN=C1

UNIFAC Result: {'CH3': 2, 'C5H3N': 1}

PSRK Result: {'CH3': 2, 'C5H3N': 1}

Joback Result: {'-CH3': 2, 'ring=CH-': 3, 'ring=C<': 2, '-N= (ring)': 1}

Identifier: O=C1CCC2=C(O1)C=CN=C2

UNIFAC Result: {'CH2COO': 1, 'C5H3N': 1, 'CH2': 1}

PSRK Result: {'CH2COO': 1, 'C5H3N': 1, 'CH2': 1}

Joback Result: {'ring-CH2-': 2, 'ring=CH-': 3, 'ring=C<': 2, '-COO- (ester)': 1, '-N= (ring)': 1}

Identifier: CCCC1=CC=C(CC2=CC=NC=C2)C=C1

UNIFAC Result: {'CH3': 1, 'ACH': 4, 'ACCH2': 2, 'C5H4N': 1, 'CH2': 1}

PSRK Result: {'CH3': 1, 'ACH': 4, 'ACCH2': 2, 'C5H4N': 1, 'CH2': 1}

Joback Result: {'-CH3': 1, '-CH2-': 3, 'ring=CH-': 8, 'ring=C<': 3, '-N= (ring)': 1}

Identifier: CN1CCCC1C2=CN=CC=C2

UNIFAC Result: [{'CH2': 3, 'CH3N': 1, 'C5H4N': 1, 'CH': 1}, {'CH3': 1, 'CH2': 2, 'CH': 1, 'CH2N': 1, 'C5H4N': 1}]

PSRK Result: [{'CH2': 3, 'CH3N': 1, 'C5H4N': 1, 'CH': 1}, {'CH3': 1, 'CH2': 2, 'CH': 1, 'CH2N': 1, 'C5H4N': 1}]

Joback Result: {}

Identifier: CC1=CC(C)=C(C)C=N1

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'-CH3': 3, 'ring=CH-': 2, 'ring=C<': 3, '-N= (ring)': 1}

Identifier: C1=CC=C(C=C1)C1=CC=NC=C1

UNIFAC Result: {'ACH': 5, 'AC': 1, 'C5H4N': 1}

PSRK Result: {'ACH': 5, 'AC': 1, 'C5H4N': 1}

Joback Result: {'ring=CH-': 9, 'ring=C<': 2, '-N= (ring)': 1}

Identifier: CC(=C)C1=CC=NC=C1

UNIFAC Result: {'CH3': 1, 'CH2=C': 1, 'C5H4N': 1}

PSRK Result: {'CH3': 1, 'CH2=C': 1, 'C5H4N': 1}

Joback Result: {'-CH3': 1, '=CH2': 1, '=C<': 1, 'ring=CH-': 4, 'ring=C<': 1, '-N= (ring)': 1}

Identifier: CC1=NC=CC(O)=C1

UNIFAC Result: {'C5H3N': 1, 'CH3': 1, 'OH': 1}

PSRK Result: {'C5H3N': 1, 'CH3': 1, 'OH': 1}

Joback Result: {'-CH3': 1, 'ring=CH-': 3, 'ring=C<': 2, '-OH (phenol)': 1, '-N= (ring)': 1}

Identifier: C1=CC=NC=C1

UNIFAC Result: {'C5H5N': 1}

PSRK Result: {'C5H5N': 1}

Joback Result: {'ring=CH-': 5, '-N= (ring)': 1}

Identifier: CC1=CN=CC=C1

UNIFAC Result: {'C5H4N': 1, 'CH3': 1}

PSRK Result: {'C5H4N': 1, 'CH3': 1}

Joback Result: {'-CH3': 1, 'ring=CH-': 4, 'ring=C<': 1, '-N= (ring)': 1}

Identifier: CC1=C(N=CC=C1)C

UNIFAC Result: {'C5H3N': 1, 'CH3': 2}

PSRK Result: {'C5H3N': 1, 'CH3': 2}

Joback Result: {'-CH3': 2, 'ring=CH-': 3, 'ring=C<': 2, '-N= (ring)': 1}

Identifier: CC#N

UNIFAC Result: {'CH3CN': 1}

PSRK Result: {'CH3CN': 1}

Joback Result: {'-CH3': 1, '-CN': 1}

Identifier: CCC#N

UNIFAC Result: {'CH3': 1, 'CH2CN': 1}

PSRK Result: {'CH3': 1, 'CH2CN': 1}

Joback Result: {'-CH3': 1, '-CH2-': 1, '-CN': 1}

Identifier: CCCC1=CC=C(C[N+]([O-])=O)C=C1

UNIFAC Result: {'CH3': 1, 'ACH': 4, 'ACCH2': 1, 'CH2NO2': 1, 'CH2': 1, 'AC': 1}

PSRK Result: {'CH3': 1, 'ACH': 4, 'ACCH2': 1, 'CH2NO2': 1, 'CH2': 1, 'AC': 1}

Joback Result: {'-CH3': 1, '-CH2-': 3, 'ring=CH-': 4, 'ring=C<': 2, '-NO2': 1}

Identifier: [O-][N+](=O)CC1=CC=CC=C1

UNIFAC Result: {'ACH': 5, 'CH2NO2': 1, 'AC': 1}

PSRK Result: {'ACH': 5, 'CH2NO2': 1, 'AC': 1}

Joback Result: {'-CH2-': 1, 'ring=CH-': 5, 'ring=C<': 1, '-NO2': 1}

Identifier: C[N+](=O)[O-]

UNIFAC Result: {'CH3NO2': 1}

PSRK Result: {'CH3NO2': 1}

Joback Result: {'-CH3': 1, '-NO2': 1}

Identifier: CCC[N+](=O)[O-]

UNIFAC Result: {'CH3': 1, 'CH2': 1, 'CH2NO2': 1}

PSRK Result: {'CH3': 1, 'CH2': 1, 'CH2NO2': 1}

Joback Result: {'-CH3': 1, '-CH2-': 2, '-NO2': 1}

Identifier: CC(C)[N+](=O)[O-]

UNIFAC Result: {'CH3': 2, 'CHNO2': 1}

PSRK Result: {'CH3': 2, 'CHNO2': 1}

Joback Result: {'-CH3': 2, '>CH-': 1, '-NO2': 1}

Identifier: C1=CC=C(C=C1)[N+](=O)[O-]

UNIFAC Result: {'ACH': 5, 'ACNO2': 1}

PSRK Result: {'ACH': 5, 'ACNO2': 1}

Joback Result: {'ring=CH-': 5, 'ring=C<': 1, '-NO2': 1}

Identifier: [O-][N+](=O)C1=CC=NC=C1

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'ring=CH-': 4, 'ring=C<': 1, '-N= (ring)': 1, '-NO2': 1}