Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexyl 2-methylpent-3-yl ester

InChI

InChI=1S/C20H36O4/c1-5-7-8-11-14-23-19(21)16-12-9-10-13-17(16)20(22)24-18(6-2)15(3)4/h15-18H,5-14H2,1-4H3

InChI Key

FXKITTJOEFEUKD-UHFFFAOYSA-N

Formula

C20H36O4

SMILES

CCCCCCOC(=O)C1CCCCC1C(=O)OC(CC)C(C)C

Molecular Weight¹

340.50

• 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).
• 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
ΔfG°	-338.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-922.31	kJ/mol	Joback Calculated Property
ΔfusH°	38.99	kJ/mol	Joback Calculated Property
ΔvapH°	77.77	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.894		Crippen Calculated Property
McVol	296.680	ml/mol	McGowan Calculated Property
Pc	1224.27	kPa	Joback Calculated Property
Inp	[2267.00; 2267.00]
Inp	2267.00		NIST
Inp	2267.00		NIST
Tboil	823.58	K	Joback Calculated Property
Tc	1022.33	K	Joback Calculated Property
Tfus	432.62	K	Joback Calculated Property
Vc	1.123	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[970.46; 1067.49]	J/mol×K	[823.58; 1022.33]
Cp,gas	970.46	J/mol×K	823.58	Joback Calculated Property
Cp,gas	990.04	J/mol×K	856.70	Joback Calculated Property
Cp,gas	1008.24	J/mol×K	889.83	Joback Calculated Property
Cp,gas	1025.07	J/mol×K	922.95	Joback Calculated Property
Cp,gas	1040.54	J/mol×K	956.08	Joback Calculated Property
Cp,gas	1054.67	J/mol×K	989.20	Joback Calculated Property
Cp,gas	1067.49	J/mol×K	1022.33	Joback Calculated Property
η	[0.0000595; 0.0014062]	Pa×s	[432.62; 823.58]
η	0.0014062	Pa×s	432.62	Joback Calculated Property
η	0.0005879	Pa×s	497.78	Joback Calculated Property
η	0.0003007	Pa×s	562.94	Joback Calculated Property
η	0.0001768	Pa×s	628.10	Joback Calculated Property
η	0.0001149	Pa×s	693.26	Joback Calculated Property
η	0.0000804	Pa×s	758.42	Joback Calculated Property
η	0.0000595	Pa×s	823.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexyl 2-methylpent-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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