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

InChI

InChI=1S/C20H36O4/c1-4-5-6-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-10-11-16(2)3/h16-18H,4-15H2,1-3H3

InChI Key

MBTKYQHLJXXXGP-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OCCCC(C)C

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	0.8493		Relay (... Calculated Property
ΔfG°	-336.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1030.62	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.51	kJ/mol	Joback Calculated Property
ΔvapH°	94.17	kJ/mol	Relay (... Calculated Property
IE	9.66	eV	Relay (... Calculated Property
log10WS	-5.19		Relay (... Calculated Property
logPoct/wat	4.896		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1217.44	kPa	Joback Calculated Property
Inp	[2260.00; 2260.00]
Inp	2260.00		NIST
Inp	2260.00		NIST
Tboil	619.85	K	Relay (... Calculated Property
Tc	822.04	K	Relay (... Calculated Property
Tfus	283.91	K	Relay (... Calculated Property
Vc	1.089	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.98; 1066.50]	J/mol×K	[824.02; 1020.98]
Cp,gas	969.98	J/mol×K	824.02	Joback Calculated Property
Cp,gas	989.40	J/mol×K	856.85	Joback Calculated Property
Cp,gas	1007.46	J/mol×K	889.67	Joback Calculated Property
Cp,gas	1024.18	J/mol×K	922.50	Joback Calculated Property
Cp,gas	1039.58	J/mol×K	955.33	Joback Calculated Property
Cp,gas	1053.69	J/mol×K	988.16	Joback Calculated Property
Cp,gas	1066.50	J/mol×K	1020.98	Joback Calculated Property
η	[0.0000648; 0.0011819]	Pa×s	[447.62; 824.02]
η	0.0011819	Pa×s	447.62	Joback Calculated Property
η	0.0005412	Pa×s	510.35	Joback Calculated Property
η	0.0002940	Pa×s	573.09	Joback Calculated Property
η	0.0001802	Pa×s	635.82	Joback Calculated Property
η	0.0001206	Pa×s	698.55	Joback Calculated Property
η	0.0000862	Pa×s	761.29	Joback Calculated Property
η	0.0000648	Pa×s	824.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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