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

InChI

InChI=1S/C27H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-31-27(29)25-22-19-18-21-24(25)26(28)30-2/h24-25H,3-23H2,1-2H3

InChI Key

JKFILNSENDOUAZ-UHFFFAOYSA-N

Formula

C27H50O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

438.68

• 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	1.1264		Relay (1.0) Calculated Property
ΔfG°	-274.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1139.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.17	kJ/mol	Joback Calculated Property
ΔvapH°	131.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.89	eV	Relay (1.0) Calculated Property
log10WS	-7.69		Relay (1.0) Calculated Property
logPoct/wat	7.771		Crippen Calculated Property
McVol	395.310	ml/mol	McGowan Calculated Property
Pc	795.28	kPa	Joback Calculated Property
Inp	[3150.00; 3150.00]
Inp	3150.00		NIST
Inp	3150.00		NIST
Tboil	661.56	K	Relay (1.0) Calculated Property
Tc	879.02	K	Relay (1.0) Calculated Property
Tfus	331.85	K	Relay (1.0) Calculated Property
Vc	1.475	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1410.41; 1504.00]	J/mol×K	[984.62; 1207.94]
Cp,gas	1410.41	J/mol×K	984.62	Joback Calculated Property
Cp,gas	1430.75	J/mol×K	1021.84	Joback Calculated Property
Cp,gas	1449.13	J/mol×K	1059.06	Joback Calculated Property
Cp,gas	1465.59	J/mol×K	1096.28	Joback Calculated Property
Cp,gas	1480.19	J/mol×K	1133.50	Joback Calculated Property
Cp,gas	1492.98	J/mol×K	1170.72	Joback Calculated Property
Cp,gas	1504.00	J/mol×K	1207.94	Joback Calculated Property
η	[0.0000254; 0.0004525]	Pa×s	[541.51; 984.62]
η	0.0004525	Pa×s	541.51	Joback Calculated Property
η	0.0002099	Pa×s	615.36	Joback Calculated Property
η	0.0001148	Pa×s	689.21	Joback Calculated Property
η	0.0000706	Pa×s	763.07	Joback Calculated Property
η	0.0000473	Pa×s	836.92	Joback Calculated Property
η	0.0000338	Pa×s	910.77	Joback Calculated Property
η	0.0000254	Pa×s	984.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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