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

InChI

InChI=1S/C20H36O4/c1-3-4-5-6-7-8-9-10-13-16-24-20(22)18-15-12-11-14-17(18)19(21)23-2/h17-18H,3-16H2,1-2H3

InChI Key

HOIFJWNIHQLTEH-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC

Molecular Weight¹

340.50

• 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	0.8780		Relay (1.0) Calculated Property
ΔfG°	-333.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1000.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.04	kJ/mol	Joback Calculated Property
ΔvapH°	103.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	5.040		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1210.67	kPa	Joback Calculated Property
Inp	[2401.00; 2401.00]
Inp	2401.00		NIST
Inp	2401.00		NIST
Tboil	614.91	K	Relay (1.0) Calculated Property
Tc	828.12	K	Relay (1.0) Calculated Property
Tfus	312.70	K	Relay (1.0) Calculated Property
Vc	1.095	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.51; 1065.56]	J/mol×K	[824.46; 1019.78]
Cp,gas	969.51	J/mol×K	824.46	Joback Calculated Property
Cp,gas	988.77	J/mol×K	857.01	Joback Calculated Property
Cp,gas	1006.70	J/mol×K	889.57	Joback Calculated Property
Cp,gas	1023.33	J/mol×K	922.12	Joback Calculated Property
Cp,gas	1038.67	J/mol×K	954.67	Joback Calculated Property
Cp,gas	1052.74	J/mol×K	987.22	Joback Calculated Property
Cp,gas	1065.56	J/mol×K	1019.78	Joback Calculated Property
η	[0.0000707; 0.0010134]	Pa×s	[462.62; 824.46]
η	0.0010134	Pa×s	462.62	Joback Calculated Property
η	0.0005034	Pa×s	522.93	Joback Calculated Property
η	0.0002890	Pa×s	583.23	Joback Calculated Property
η	0.0001841	Pa×s	643.54	Joback Calculated Property
η	0.0001267	Pa×s	703.85	Joback Calculated Property
η	0.0000925	Pa×s	764.15	Joback Calculated Property
η	0.0000707	Pa×s	824.46	Joback Calculated Property

Similar Compounds

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

Sources

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

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