Aldehydes

[1]:

from display import display_case_module

from cases import aldehydes_cases

display_case_module(aldehydes_cases)

Identifier: C(=O)C=O

UNIFAC Result: {'HCO': 2}

PSRK Result: {'HCO': 2}

Joback Result: {'O=CH- (aldehyde)': 2}

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

UNIFAC Result: {'ACH': 4, 'ACOH': 1, 'AC': 1, 'HCO': 1}

PSRK Result: {'ACH': 4, 'ACOH': 1, 'AC': 1, 'HCO': 1}

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

Identifier: CC(C=C)C=O

UNIFAC Result: {'CH3': 1, 'CH': 1, 'CH2=CH': 1, 'HCO': 1}

PSRK Result: {'CH3': 1, 'CH': 1, 'CH2=CH': 1, 'HCO': 1}

Joback Result: {'-CH3': 1, '>CH-': 1, '=CH2': 1, '=CH-': 1, 'O=CH- (aldehyde)': 1}

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

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

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

Joback Result: {'=CH-': 2, 'ring=CH-': 5, 'ring=C<': 1, 'O=CH- (aldehyde)': 1}

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

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

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

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

Identifier: C1CCC(CC1)C=O

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

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

Joback Result: {'ring-CH2-': 5, 'ring>CH-': 1, 'O=CH- (aldehyde)': 1}

Identifier: CCCCC=O

UNIFAC Result: {'CH3': 1, 'CH2': 3, 'HCO': 1}

PSRK Result: {'CH3': 1, 'CH2': 3, 'HCO': 1}

Joback Result: {'-CH3': 1, '-CH2-': 3, 'O=CH- (aldehyde)': 1}

Identifier: CC(C)CC=O

UNIFAC Result: {'CH3': 2, 'CH2': 1, 'CH': 1, 'HCO': 1}

PSRK Result: {'CH3': 2, 'CH2': 1, 'CH': 1, 'HCO': 1}

Joback Result: {'-CH3': 2, '-CH2-': 1, '>CH-': 1, 'O=CH- (aldehyde)': 1}

Identifier: CC=O

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

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

Joback Result: {'-CH3': 1, 'O=CH- (aldehyde)': 1}

Identifier: CCCCCC\C(C=O)=C/C1=CC=CC=C1

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

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

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