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

InChI

InChI=1S/C29H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-8-6-4-2/h26-27H,3-25H2,1-2H3

InChI Key

ZCTBNVXRGSJZOZ-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCC

Molecular Weight¹

466.74

• 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	1.2038		Relay (1.0) Calculated Property
ΔfG°	-257.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1188.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.35	kJ/mol	Joback Calculated Property
ΔvapH°	131.41	kJ/mol	Relay (1.0) Calculated Property
IE	9.83	eV	Relay (1.0) Calculated Property
log10WS	-8.12		Relay (1.0) Calculated Property
logPoct/wat	8.551		Crippen Calculated Property
McVol	423.490	ml/mol	McGowan Calculated Property
Pc	715.68	kPa	Joback Calculated Property
Inp	[3255.00; 3255.00]
Inp	3255.00		NIST
Inp	3255.00		NIST
Tboil	678.72	K	Relay (1.0) Calculated Property
Tc	892.09	K	Relay (1.0) Calculated Property
Tfus	318.24	K	Relay (1.0) Calculated Property
Vc	1.590	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1539.62; 1631.62]	J/mol×K	[1030.38; 1271.14]
Cp,gas	1539.62	J/mol×K	1030.38	Joback Calculated Property
Cp,gas	1560.49	J/mol×K	1070.51	Joback Calculated Property
Cp,gas	1579.04	J/mol×K	1110.63	Joback Calculated Property
Cp,gas	1595.36	J/mol×K	1150.76	Joback Calculated Property
Cp,gas	1609.51	J/mol×K	1190.88	Joback Calculated Property
Cp,gas	1621.57	J/mol×K	1231.01	Joback Calculated Property
Cp,gas	1631.62	J/mol×K	1271.14	Joback Calculated Property
η	[0.0000186; 0.0003496]	Pa×s	[564.05; 1030.38]
η	0.0003496	Pa×s	564.05	Joback Calculated Property
η	0.0001595	Pa×s	641.77	Joback Calculated Property
η	0.0000862	Pa×s	719.49	Joback Calculated Property
η	0.0000526	Pa×s	797.22	Joback Calculated Property
η	0.0000350	Pa×s	874.94	Joback Calculated Property
η	0.0000249	Pa×s	952.66	Joback Calculated Property
η	0.0000186	Pa×s	1030.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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