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

InChI

InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-24(4)23(2)3/h23-26H,5-22H2,1-4H3

InChI Key

GODPKWBFJFURBF-UHFFFAOYSA-N

Formula

C28H52O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

452.71

• 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°	-271.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1087.43	kJ/mol	Joback Calculated Property
ΔfusH°	59.71	kJ/mol	Joback Calculated Property
ΔvapH°	95.58	kJ/mol	Joback Calculated Property
log10WS	-8.55		Crippen Calculated Property
logPoct/wat	8.015		Crippen Calculated Property
McVol	409.400	ml/mol	McGowan Calculated Property
Pc	760.58	kPa	Joback Calculated Property
Inp	[3067.00; 3067.00]
Inp	3067.00		NIST
Inp	3067.00		NIST
Tboil	1006.62	K	Joback Calculated Property
Tc	1235.49	K	Joback Calculated Property
Tfus	522.78	K	Joback Calculated Property
Vc	1.571	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1475.46; 1566.54]	J/mol×K	[1006.62; 1235.49]
Cp,gas	1475.46	J/mol×K	1006.62	Joback Calculated Property
Cp,gas	1495.71	J/mol×K	1044.76	Joback Calculated Property
Cp,gas	1513.86	J/mol×K	1082.91	Joback Calculated Property
Cp,gas	1529.96	J/mol×K	1121.05	Joback Calculated Property
Cp,gas	1544.07	J/mol×K	1159.20	Joback Calculated Property
Cp,gas	1556.24	J/mol×K	1197.34	Joback Calculated Property
Cp,gas	1566.54	J/mol×K	1235.49	Joback Calculated Property
η	[0.0000180; 0.0005095]	Pa×s	[522.78; 1006.62]
η	0.0005095	Pa×s	522.78	Joback Calculated Property
η	0.0002011	Pa×s	603.42	Joback Calculated Property
η	0.0000989	Pa×s	684.06	Joback Calculated Property
η	0.0000564	Pa×s	764.70	Joback Calculated Property
η	0.0000359	Pa×s	845.34	Joback Calculated Property
η	0.0000247	Pa×s	925.98	Joback Calculated Property
η	0.0000180	Pa×s	1006.62	Joback Calculated Property

Similar Compounds

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

Sources

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

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