Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, methyl tetradecyl ester

InChI

InChI=1S/C23H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-27-23(25)21-18-15-14-17-20(21)22(24)26-2/h20-21H,3-19H2,1-2H3

InChI Key

NSBKZTVLCSYVNQ-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

CCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

382.58

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9849		Relay (1.0) Calculated Property
ΔfG°	-308.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1059.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.81	kJ/mol	Joback Calculated Property
ΔvapH°	116.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-6.43		Relay (1.0) Calculated Property
logPoct/wat	6.210		Crippen Calculated Property
McVol	338.950	ml/mol	McGowan Calculated Property
Pc	1000.18	kPa	Joback Calculated Property
Inp	[2713.00; 2713.00]
Inp	2713.00		NIST
Inp	2713.00		NIST
Tboil	635.35	K	Relay (1.0) Calculated Property
Tc	851.39	K	Relay (1.0) Calculated Property
Tfus	323.45	K	Relay (1.0) Calculated Property
Vc	1.257	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1155.63; 1251.01]	J/mol×K	[893.10; 1095.01]
Cp,gas	1155.63	J/mol×K	893.10	Joback Calculated Property
Cp,gas	1175.24	J/mol×K	926.75	Joback Calculated Property
Cp,gas	1193.32	J/mol×K	960.40	Joback Calculated Property
Cp,gas	1209.91	J/mol×K	994.05	Joback Calculated Property
Cp,gas	1225.04	J/mol×K	1027.71	Joback Calculated Property
Cp,gas	1238.73	J/mol×K	1061.36	Joback Calculated Property
Cp,gas	1251.01	J/mol×K	1095.01	Joback Calculated Property
η	[0.0000462; 0.0007325]	Pa×s	[496.43; 893.10]
η	0.0007325	Pa×s	496.43	Joback Calculated Property
η	0.0003525	Pa×s	562.54	Joback Calculated Property
η	0.0001979	Pa×s	628.65	Joback Calculated Property
η	0.0001240	Pa×s	694.76	Joback Calculated Property
η	0.0000842	Pa×s	760.88	Joback Calculated Property
η	0.0000609	Pa×s	826.99	Joback Calculated Property
η	0.0000462	Pa×s	893.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, methyl tetradecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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