Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, heptadecyl 3-methylbut-2-yl ester

InChI

InChI=1S/C30H56O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-29(31)27-22-19-20-23-28(27)30(32)34-26(4)25(2)3/h25-28H,5-24H2,1-4H3

InChI Key

IKHWJLIAYCKPPI-UHFFFAOYSA-N

Formula

C30H56O4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

480.76

• 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°	-254.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-1128.71	kJ/mol	Joback Calculated Property
ΔfusH°	64.89	kJ/mol	Joback Calculated Property
ΔvapH°	100.03	kJ/mol	Joback Calculated Property
log10WS	-9.39		Crippen Calculated Property
logPoct/wat	8.795		Crippen Calculated Property
McVol	437.580	ml/mol	McGowan Calculated Property
Pc	686.01	kPa	Joback Calculated Property
Inp	[3277.00; 3277.00]
Inp	3277.00		NIST
Inp	3277.00		NIST
Tboil	1052.38	K	Joback Calculated Property
Tc	1299.39	K	Joback Calculated Property
Tfus	545.32	K	Joback Calculated Property
Vc	1.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1604.88; 1693.33]	J/mol×K	[1052.38; 1299.39]
Cp,gas	1604.88	J/mol×K	1052.38	Joback Calculated Property
Cp,gas	1625.53	J/mol×K	1093.55	Joback Calculated Property
Cp,gas	1643.70	J/mol×K	1134.72	Joback Calculated Property
Cp,gas	1659.48	J/mol×K	1175.89	Joback Calculated Property
Cp,gas	1672.96	J/mol×K	1217.06	Joback Calculated Property
Cp,gas	1684.21	J/mol×K	1258.22	Joback Calculated Property
Cp,gas	1693.33	J/mol×K	1299.39	Joback Calculated Property
η	[0.0000131; 0.0003850]	Pa×s	[545.32; 1052.38]
η	0.0003850	Pa×s	545.32	Joback Calculated Property
η	0.0001503	Pa×s	629.83	Joback Calculated Property
η	0.0000733	Pa×s	714.34	Joback Calculated Property
η	0.0000416	Pa×s	798.85	Joback Calculated Property
η	0.0000263	Pa×s	883.36	Joback Calculated Property
η	0.0000180	Pa×s	967.87	Joback Calculated Property
η	0.0000131	Pa×s	1052.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, heptadecyl 3-methylbut-2-yl ester.

Sources

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

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