Halogens

from display import display_case_module

from cases import halogens_cases

display_case_module(halogens_cases)

Identifier: CCCCCl

UNIFAC Result: {'CH3': 1, 'CH2': 2, 'CH2CL': 1}

PSRK Result: {'CH3': 1, 'CH2': 2, 'CH2CL': 1}

Joback Result: {'-CH3': 1, '-CH2-': 3, '-Cl': 1}

Identifier: CC(C)Cl

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

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

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

Identifier: CC(C)(C)Cl

UNIFAC Result: {'CH3': 3, 'CCL': 1}

PSRK Result: {'CH3': 3, 'CCL': 1}

Joback Result: {'-CH3': 3, '>C<': 1, '-Cl': 1}

Identifier: OC(Cl)Cl

UNIFAC Result: {'OH': 1, 'CHCL2': 1}

PSRK Result: {'OH': 1, 'CHCL2': 1}

Joback Result: {'>CH-': 1, '-Cl': 2, '-OH (alcohol)': 1}

Identifier: C(Cl)Cl

UNIFAC Result: {'CH2CL2': 1}

PSRK Result: {'CH2CL2': 1}

Joback Result: {'-CH2-': 1, '-Cl': 2}

Identifier: CC(Cl)Cl

UNIFAC Result: {'CH3': 1, 'CHCL2': 1}

PSRK Result: {'CH3': 1, 'CHCL2': 1}

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

Identifier: CC(C)(Cl)Cl

UNIFAC Result: {'CH3': 2, 'CCL2': 1}

PSRK Result: {'CH3': 2, 'CCL2': 1}

Joback Result: {'-CH3': 2, '>C<': 1, '-Cl': 2}

Identifier: C(Cl)(Cl)Cl

UNIFAC Result: {'CHCL3': 1}

PSRK Result: {'CHCL3': 1}

Joback Result: {'>CH-': 1, '-Cl': 3}

Identifier: CC(Cl)(Cl)Cl

UNIFAC Result: {'CH3': 1, 'CCL3': 1}

PSRK Result: {'CH3': 1, 'CCL3': 1}

Joback Result: {'-CH3': 1, '>C<': 1, '-Cl': 3}

Identifier: C(Cl)(Cl)(Cl)Cl

UNIFAC Result: {'CCL4': 1}

PSRK Result: {'CCL4': 1}

Joback Result: {'>C<': 1, '-Cl': 4}

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

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

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

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

Identifier: CCI

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

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

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

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

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

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

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

Identifier: CCBr

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

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

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

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

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

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

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

Identifier: ClC(I)=C(Br)C=CC=C

UNIFAC Result: {'CH2=CH': 1, 'CH=CH': 1, 'I': 1, 'BR': 1, 'CL-(C=C)': 1, 'C=C': 1}

PSRK Result: {'CH2=CH': 1, 'CH=CH': 1, 'I': 1, 'BR': 1, 'CL-(C=C)': 1, 'C=C': 1}

Joback Result: {'=CH2': 1, '=CH-': 3, '=C<': 2, '-Cl': 1, '-Br': 1, '-I': 1}

Identifier: C(=C(Cl)Cl)Cl

UNIFAC Result: {'CH=C': 1, 'CL-(C=C)': 3}

PSRK Result: {'CH=C': 1, 'CL-(C=C)': 3}

Joback Result: {'=CH-': 1, '=C<': 1, '-Cl': 3}

Identifier: C1(=C(C(=C(C(=C1F)F)F)F)F)F

UNIFAC Result: {'ACF': 6}

PSRK Result: {'ACF': 6}

Joback Result: {'ring=C<': 6, '-F': 6}

Identifier: FC1=CC=NC=C1

UNIFAC Result: {}

PSRK Result: {}

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

Identifier: OC(F)(Br)I

UNIFAC Result: {'OH': 1, 'I': 1, 'BR': 1, 'CF': 1}

PSRK Result: {'OH': 1, 'I': 1, 'BR': 1, 'CF': 1}

Joback Result: {'>C<': 1, '-F': 1, '-Br': 1, '-I': 1, '-OH (alcohol)': 1}

Identifier: OC(O)(F)F

UNIFAC Result: {'OH': 2, 'CF2': 1}

PSRK Result: {'OH': 2, 'CF2': 1}

Joback Result: {'>C<': 1, '-F': 2, '-OH (alcohol)': 2}

Identifier: OC(F)(F)F

UNIFAC Result: {'OH': 1, 'CF3': 1}

PSRK Result: {'OH': 1, 'CF3': 1}

Joback Result: {'>C<': 1, '-F': 3, '-OH (alcohol)': 1}

Identifier: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

UNIFAC Result: {'CF3': 2, 'CF2': 4}

PSRK Result: {'CF3': 2, 'CF2': 4}

Joback Result: {'>C<': 6, '-F': 14}

Identifier: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F

UNIFAC Result: {'CF3': 1, 'CF2': 5, 'CF': 1}

PSRK Result: {'CF3': 1, 'CF2': 5, 'CF': 1}

Joback Result: {'>C<': 1, 'ring>C<': 6, '-F': 14}

Identifier: FC(F)F

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'>CH-': 1, '-F': 3}

Identifier: FCF

UNIFAC Result: {}

PSRK Result: {}

Joback Result: {'-CH2-': 1, '-F': 2}

Identifier: CF

UNIFAC Result: {}

PSRK Result: {}

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

Identifier: C(F)(Cl)(Cl)Cl

UNIFAC Result: {'CCL3F': 1}

PSRK Result: {'CCL3F': 1}

Joback Result: {'>C<': 1, '-F': 1, '-Cl': 3}

Identifier: C(C(F)(Cl)Cl)(F)(Cl)Cl

UNIFAC Result: {'CCL2F': 2}

PSRK Result: {'CCL2F': 2}

Joback Result: {'>C<': 2, '-F': 2, '-Cl': 4}

Identifier: C(F)(Cl)Cl

UNIFAC Result: {'HCCL2F': 1}

PSRK Result: {'HCCL2F': 1}

Joback Result: {'>CH-': 1, '-F': 1, '-Cl': 2}

Identifier: C(C(F)(F)F)(F)Cl

UNIFAC Result: {'CF3': 1, 'HCCLF': 1}

PSRK Result: {'CF3': 1, 'HCCLF': 1}

Joback Result: {'>CH-': 1, '>C<': 1, '-F': 4, '-Cl': 1}

Identifier: C(C(F)(F)Cl)(F)(F)Cl

UNIFAC Result: {'CCLF2': 2}

PSRK Result: {'CCLF2': 2}

Joback Result: {'>C<': 2, '-F': 4, '-Cl': 2}

Identifier: C(F)(F)Cl

UNIFAC Result: {'HCCLF2': 1}

PSRK Result: {'HCCLF2': 1}

Joback Result: {'>CH-': 1, '-F': 2, '-Cl': 1}

Identifier: C(F)(F)(F)Cl

UNIFAC Result: {'CCLF3': 1}

PSRK Result: {'CCLF3': 1}

Joback Result: {'>C<': 1, '-F': 3, '-Cl': 1}

Identifier: C(F)(F)(Cl)Cl

UNIFAC Result: {'CCL2F2': 1}

PSRK Result: {'CCL2F2': 1}

Joback Result: {'>C<': 1, '-F': 2, '-Cl': 2}