Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylbutyl ester

InChI

InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(3)5-2/h25-27H,4-24H2,1-3H3

InChI Key

ZAXSDNAEFZNOQN-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCC(C)CC

Molecular Weight¹

466.74

• 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°	-260.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1102.79	kJ/mol	Joback Calculated Property
ΔfusH°	65.82	kJ/mol	Joback Calculated Property
ΔvapH°	98.19	kJ/mol	Joback Calculated Property
log10WS	-8.86		Crippen Calculated Property
logPoct/wat	8.407		Crippen Calculated Property
McVol	423.490	ml/mol	McGowan Calculated Property
Pc	718.76	kPa	Joback Calculated Property
Inp	[3219.00; 3219.00]
Inp	3219.00		NIST
Inp	3219.00		NIST
Tboil	1029.94	K	Joback Calculated Property
Tc	1268.88	K	Joback Calculated Property
Tfus	549.05	K	Joback Calculated Property
Vc	1.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1539.85; 1630.76]	J/mol×K	[1029.94; 1268.88]
Cp,gas	1539.85	J/mol×K	1029.94	Joback Calculated Property
Cp,gas	1560.50	J/mol×K	1069.76	Joback Calculated Property
Cp,gas	1578.85	J/mol×K	1109.59	Joback Calculated Property
Cp,gas	1594.98	J/mol×K	1149.41	Joback Calculated Property
Cp,gas	1608.96	J/mol×K	1189.23	Joback Calculated Property
Cp,gas	1620.87	J/mol×K	1229.05	Joback Calculated Property
Cp,gas	1630.76	J/mol×K	1268.88	Joback Calculated Property
η	[0.0000169; 0.0003910]	Pa×s	[549.05; 1029.94]
η	0.0003910	Pa×s	549.05	Joback Calculated Property
η	0.0001660	Pa×s	629.20	Joback Calculated Property
η	0.0000856	Pa×s	709.35	Joback Calculated Property
η	0.0000504	Pa×s	789.50	Joback Calculated Property
η	0.0000328	Pa×s	869.64	Joback Calculated Property
η	0.0000229	Pa×s	949.79	Joback Calculated Property
η	0.0000169	Pa×s	1029.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylbutyl ester.

Sources

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

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