Alcohols

from display import display_case_module

from cases import alcohols_cases

display_case_module(alcohols_cases)

Identifier: C(CO)O

UNIFAC Result: {'DOH': 1}

PSRK Result: {'DOH': 1}

Joback Result: {'-CH2-': 2, '-OH (alcohol)': 2}

Identifier: CCOCCO

UNIFAC Result: {'CH3': 1, 'CH2': 1, 'C2H5O2': 1}

PSRK Result: {'CH3': 1, 'CH2': 1, 'C2H5O2': 1}

Joback Result: {'-CH3': 1, '-CH2-': 3, '-OH (alcohol)': 1, '-O- (non-ring)': 1}

Identifier: CCOC(C)CO

UNIFAC Result: {'CH3': 2, 'C2H4O2': 1, 'CH2': 1}

PSRK Result: {'CH3': 2, 'C2H4O2': 1, 'CH2': 1}

Joback Result: {'-CH3': 2, '-CH2-': 2, '>CH-': 1, '-OH (alcohol)': 1, '-O- (non-ring)': 1}

Identifier: CC(C)(C)C1CCC(C(C1)O)(C2=CC=CC=C2)O

UNIFAC Result: {'CH3': 3, 'CH2': 3, 'CH': 2, 'C': 2, 'OH': 2, 'AC': 1, 'ACH': 5}

PSRK Result: {'CH3': 3, 'CH2': 3, 'CH': 2, 'C': 2, 'OH': 2, 'AC': 1, 'ACH': 5}

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

Identifier: CCCC(C(C)CO)O

UNIFAC Result: {'CH3': 2, 'CH2': 3, 'CH': 2, 'OH': 2}

PSRK Result: {'CH3': 2, 'CH2': 3, 'CH': 2, 'OH': 2}

Joback Result: {'-CH3': 2, '-CH2-': 3, '>CH-': 2, '-OH (alcohol)': 2}

Identifier: CC(C)O

UNIFAC Result: {'CH3': 2, 'CH': 1, 'OH': 1}

PSRK Result: {'CH3': 2, 'CH': 1, 'OH': 1}

Joback Result: {'-CH3': 2, '>CH-': 1, '-OH (alcohol)': 1}

Identifier: CO

UNIFAC Result: {'CH3OH': 1}

PSRK Result: {'CH3OH': 1}

Joback Result: {'-CH3': 1, '-OH (alcohol)': 1}

Identifier: CCO

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

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

Joback Result: {'-CH3': 1, '-CH2-': 1, '-OH (alcohol)': 1}

Identifier: CCCO

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

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

Joback Result: {'-CH3': 1, '-CH2-': 2, '-OH (alcohol)': 1}

Identifier: C1=CC=C2C(=C1)C=CC3=C2C(=C(C=C3)O)O

UNIFAC Result: {'ACH': 8, 'AC': 4, 'ACOH': 2}

PSRK Result: {'ACH': 8, 'AC': 4, 'ACOH': 2}

Joback Result: {'ring=CH-': 8, 'ring=C<': 6, '-OH (phenol)': 2}

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

UNIFAC Result: {'ACH': 3, 'AC': 1, 'ACOH': 2, 'CH3': 3, 'C': 1}

PSRK Result: {'ACH': 3, 'AC': 1, 'ACOH': 2, 'CH3': 3, 'C': 1}

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

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

UNIFAC Result: {'ACH': 7, 'AC': 2, 'ACOH': 3}

PSRK Result: {'ACH': 7, 'AC': 2, 'ACOH': 3}

Joback Result: {'ring=CH-': 7, 'ring=C<': 5, '-OH (phenol)': 3}