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

InChI

InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-14-17-26-22(24)20-15-12-13-16-21(20)23(25)27-18-19(2)3/h19-21H,4-18H2,1-3H3

InChI Key

KFFISQLLHSGQKG-UHFFFAOYSA-N

Formula

C23H42O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)C

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	0.9658		Relay (1.0) Calculated Property
ΔfG°	-310.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-1088.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.28	kJ/mol	Joback Calculated Property
ΔvapH°	104.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	6.066		Crippen Calculated Property
McVol	338.950	ml/mol	McGowan Calculated Property
Pc	1005.26	kPa	Joback Calculated Property
Inp	[2596.00; 2596.00]
Inp	2596.00		NIST
Inp	2596.00		NIST
Tboil	641.61	K	Relay (1.0) Calculated Property
Tc	846.56	K	Relay (1.0) Calculated Property
Tfus	301.28	K	Relay (1.0) Calculated Property
Vc	1.258	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1156.06; 1251.39]	J/mol×K	[892.66; 1095.22]
Cp,gas	1156.06	J/mol×K	892.66	Joback Calculated Property
Cp,gas	1175.71	J/mol×K	926.42	Joback Calculated Property
Cp,gas	1193.82	J/mol×K	960.18	Joback Calculated Property
Cp,gas	1210.41	J/mol×K	993.94	Joback Calculated Property
Cp,gas	1225.52	J/mol×K	1027.70	Joback Calculated Property
Cp,gas	1239.17	J/mol×K	1061.46	Joback Calculated Property
Cp,gas	1251.39	J/mol×K	1095.22	Joback Calculated Property
η	[0.0000422; 0.0008412]	Pa×s	[481.43; 892.66]
η	0.0008412	Pa×s	481.43	Joback Calculated Property
η	0.0003744	Pa×s	549.97	Joback Calculated Property
η	0.0001994	Pa×s	618.51	Joback Calculated Property
η	0.0001204	Pa×s	687.04	Joback Calculated Property
η	0.0000797	Pa×s	755.58	Joback Calculated Property
η	0.0000565	Pa×s	824.12	Joback Calculated Property
η	0.0000422	Pa×s	892.66	Joback Calculated Property

Similar Compounds

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

Sources

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

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