Aromatics

from display import display_case_module

from cases import aromatics_cases

display_case_module(aromatics_cases)

Identifier: C1=CC2=CC=CC=CC2=C1

UNIFAC Result: {'ACH': 8, 'AC': 2}

PSRK Result: {'ACH': 8, 'AC': 2}

Joback Result: {'ring=CH-': 8, 'ring=C<': 2}

Identifier: C1=CC=CC=CC=CC=CC=CC=CC=CC=C1

UNIFAC Result: {'ACH': 18}

PSRK Result: {'ACH': 18}

Joback Result: {'ring=CH-': 18}

Identifier: C1=CC=CC=CC=CC=CC=CC=C1

UNIFAC Result: {'ACH': 14}

PSRK Result: {'ACH': 14}

Joback Result: {'ring=CH-': 14}

Identifier: C1=CC=C2C(=C1)C=CC3=CC=CC=C32

UNIFAC Result: {'ACH': 10, 'AC': 4}

PSRK Result: {'ACH': 10, 'AC': 4}

Joback Result: {'ring=CH-': 10, 'ring=C<': 4}

Identifier: C1=CC=C2C=C3C=CC=CC3=CC2=C1

UNIFAC Result: {'ACH': 10, 'AC': 4}

PSRK Result: {'ACH': 10, 'AC': 4}

Joback Result: {'ring=CH-': 10, 'ring=C<': 4}

Identifier: C=C(C1=CC=CC=C1)C2=CC=CC=C2

UNIFAC Result: {'ACH': 10, 'AC': 2, 'CH2=C': 1}

PSRK Result: {'ACH': 10, 'AC': 2, 'CH2=C': 1}

Joback Result: {'=CH2': 1, '=C<': 1, 'ring=CH-': 10, 'ring=C<': 2}

Identifier: C1=CC=C(C=C1)C2=CC=CC=C2

UNIFAC Result: {'ACH': 10, 'AC': 2}

PSRK Result: {'ACH': 10, 'AC': 2}

Joback Result: {'ring=CH-': 10, 'ring=C<': 2}

Identifier: C1=CC=CC=C1

UNIFAC Result: {'ACH': 6}

PSRK Result: {'ACH': 6}

Joback Result: {'ring=CH-': 6}

Identifier: C=CC1=CC=CC=C1

UNIFAC Result: {'AC': 1, 'CH2=CH': 1, 'ACH': 5}

PSRK Result: {'AC': 1, 'CH2=CH': 1, 'ACH': 5}

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

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

UNIFAC Result: {'ACH': 5, 'AC': 1, 'OH': 1, 'CH3': 1, 'C': 1, 'COOH': 1}

PSRK Result: {'ACH': 5, 'AC': 1, 'OH': 1, 'CH3': 1, 'C': 1, 'COOH': 1}

Joback Result: {'-CH3': 1, '>C<': 1, 'ring=CH-': 5, 'ring=C<': 1, '-OH (alcohol)': 1, '-COOH (acid)': 1}

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

UNIFAC Result: {'ACH': 5, 'AC': 1, 'CH=C': 1, 'CH2=CH': 1, 'CH3': 1}

PSRK Result: {'ACH': 5, 'AC': 1, 'CH=C': 1, 'CH2=CH': 1, 'CH3': 1}

Joback Result: {'-CH3': 1, '=CH2': 1, '=CH-': 2, '=C<': 1, 'ring=CH-': 5, 'ring=C<': 1}

Identifier: C=CCCC1=C2C=CC=CC2=CC3=CC=CC=C31

UNIFAC Result: {'ACH': 9, 'ACCH2': 1, 'AC': 4, 'CH2': 1, 'CH2=CH': 1}

PSRK Result: {'ACH': 9, 'ACCH2': 1, 'AC': 4, 'CH2': 1, 'CH2=CH': 1}

Joback Result: {'-CH2-': 2, '=CH2': 1, '=CH-': 1, 'ring=CH-': 9, 'ring=C<': 5}

Identifier: CC1=C2C=CC=CC2=CC3=CC=CC=C13

UNIFAC Result: {'ACH': 9, 'ACCH3': 1, 'AC': 4}

PSRK Result: {'ACH': 9, 'ACCH3': 1, 'AC': 4}

Joback Result: {'-CH3': 1, 'ring=CH-': 9, 'ring=C<': 5}

Identifier: CC1=CC(=CC=C1)C2=CC=CC=C2

UNIFAC Result: {'ACH': 9, 'ACCH3': 1, 'AC': 2}

PSRK Result: {'ACH': 9, 'ACCH3': 1, 'AC': 2}

Joback Result: {'-CH3': 1, 'ring=CH-': 9, 'ring=C<': 3}

Identifier: CCC1=C(C=CC(=C1C)C)C

UNIFAC Result: {'ACH': 2, 'ACCH3': 3, 'ACCH2': 1, 'CH3': 1}

PSRK Result: {'ACH': 2, 'ACCH3': 3, 'ACCH2': 1, 'CH3': 1}

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

Identifier: CCC1=CC(=CC=C1)C(C)(C)C

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

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

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

Identifier: CCC1=CC=CC(=C1C)C

UNIFAC Result: {'ACH': 3, 'ACCH2': 1, 'ACCH3': 2, 'CH3': 1}

PSRK Result: {'ACH': 3, 'ACCH2': 1, 'ACCH3': 2, 'CH3': 1}

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

Identifier: CCC1=CC=CC=C1C

UNIFAC Result: {'ACH': 4, 'ACCH3': 1, 'ACCH2': 1, 'CH3': 1}

PSRK Result: {'ACH': 4, 'ACCH3': 1, 'ACCH2': 1, 'CH3': 1}

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

Identifier: CCC1=CC=C(C=C1)C(C)C

UNIFAC Result: {'ACH': 4, 'ACCH': 1, 'ACCH2': 1, 'CH3': 3}

PSRK Result: {'ACH': 4, 'ACCH': 1, 'ACCH2': 1, 'CH3': 3}

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

Identifier: C1=CC(=CC=C1CO)O

UNIFAC Result: {'ACH': 4, 'ACOH': 1, 'ACCH2': 1, 'OH': 1}

PSRK Result: {'ACH': 4, 'ACOH': 1, 'ACCH2': 1, 'OH': 1}

Joback Result: {'-CH2-': 1, 'ring=CH-': 4, 'ring=C<': 2, '-OH (alcohol)': 1, '-OH (phenol)': 1}

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

UNIFAC Result: {'CH3': 2, 'ACH': 5, 'ACCH': 1}

PSRK Result: {'CH3': 2, 'ACH': 5, 'ACCH': 1}

Joback Result: {'-CH3': 2, '>CH-': 1, 'ring=CH-': 5, 'ring=C<': 1}

Identifier: CCC1=CC=CC=C1

UNIFAC Result: {'CH3': 1, 'ACH': 5, 'ACCH2': 1}

PSRK Result: {'CH3': 1, 'ACH': 5, 'ACCH2': 1}

Joback Result: {'-CH3': 1, '-CH2-': 1, 'ring=CH-': 5, 'ring=C<': 1}

Identifier: CC1=CC=CC=C1

UNIFAC Result: {'ACH': 5, 'ACCH3': 1}

PSRK Result: {'ACH': 5, 'ACCH3': 1}

Joback Result: {'-CH3': 1, 'ring=CH-': 5, 'ring=C<': 1}

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

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

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

Joback Result: {'ring=CH-': 5, 'ring=C<': 1, '-OH (phenol)': 1}