Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl isohexyl ester

InChI

InChI=1S/C21H36O4/c1-16(2)9-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-15-17-10-4-3-5-11-17/h16-19H,3-15H2,1-2H3

InChI Key

AHBIZAPFGDVYCG-UHFFFAOYSA-N

Formula

C21H36O4

SMILES

CC(C)CCCOC(=O)C1CCCCC1C(=O)OCC1CCCCC1

Molecular Weight¹

352.51

• 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	0.7683		Relay (1.0) Calculated Property
ΔfG°	-303.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-1045.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.94	kJ/mol	Joback Calculated Property
ΔvapH°	98.75	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-5.29		Relay (1.0) Calculated Property
logPoct/wat	4.896		Crippen Calculated Property
McVol	299.910	ml/mol	McGowan Calculated Property
Pc	1315.61	kPa	Joback Calculated Property
Inp	[2452.00; 2452.00]
Inp	2452.00		NIST
Inp	2452.00		NIST
Tboil	658.55	K	Relay (1.0) Calculated Property
Tc	872.73	K	Relay (1.0) Calculated Property
Tfus	304.51	K	Relay (1.0) Calculated Property
Vc	1.091	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1028.73; 1124.01]	J/mol×K	[866.45; 1081.84]
Cp,gas	1028.73	J/mol×K	866.45	Joback Calculated Property
Cp,gas	1048.99	J/mol×K	902.35	Joback Calculated Property
Cp,gas	1067.46	J/mol×K	938.25	Joback Calculated Property
Cp,gas	1084.17	J/mol×K	974.14	Joback Calculated Property
Cp,gas	1099.14	J/mol×K	1010.04	Joback Calculated Property
Cp,gas	1112.41	J/mol×K	1045.94	Joback Calculated Property
Cp,gas	1124.01	J/mol×K	1081.84	Joback Calculated Property
η	[0.0000583; 0.0012118]	Pa×s	[466.27; 866.45]
η	0.0012118	Pa×s	466.27	Joback Calculated Property
η	0.0005326	Pa×s	532.97	Joback Calculated Property
η	0.0002810	Pa×s	599.66	Joback Calculated Property
η	0.0001686	Pa×s	666.36	Joback Calculated Property
η	0.0001109	Pa×s	733.06	Joback Calculated Property
η	0.0000783	Pa×s	799.75	Joback Calculated Property
η	0.0000583	Pa×s	866.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, cyclohexylmethyl isohexyl ester.

Sources

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

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