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

InChI

InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-25(4)24(2)3/h24-27H,5-23H2,1-4H3

InChI Key

QVWVBWUZRNSUHV-UHFFFAOYSA-N

Formula

C29H54O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OC(C)C(C)C

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°	-262.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1108.07	kJ/mol	Joback Calculated Property
ΔfusH°	62.30	kJ/mol	Joback Calculated Property
ΔvapH°	97.80	kJ/mol	Joback Calculated Property
log10WS	-8.97		Crippen Calculated Property
logPoct/wat	8.405		Crippen Calculated Property
McVol	423.490	ml/mol	McGowan Calculated Property
Pc	721.85	kPa	Joback Calculated Property
Inp	[3169.00; 3169.00]
Inp	3169.00		NIST
Inp	3169.00		NIST
Tboil	1029.50	K	Joback Calculated Property
Tc	1266.79	K	Joback Calculated Property
Tfus	534.05	K	Joback Calculated Property
Vc	1.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1540.09; 1629.96]	J/mol×K	[1029.50; 1266.79]
Cp,gas	1540.09	J/mol×K	1029.50	Joback Calculated Property
Cp,gas	1560.53	J/mol×K	1069.05	Joback Calculated Property
Cp,gas	1578.69	J/mol×K	1108.60	Joback Calculated Property
Cp,gas	1594.64	J/mol×K	1148.14	Joback Calculated Property
Cp,gas	1608.46	J/mol×K	1187.69	Joback Calculated Property
Cp,gas	1620.21	J/mol×K	1227.24	Joback Calculated Property
Cp,gas	1629.96	J/mol×K	1266.79	Joback Calculated Property
η	[0.0000154; 0.0004434]	Pa×s	[534.05; 1029.50]
η	0.0004434	Pa×s	534.05	Joback Calculated Property
η	0.0001740	Pa×s	616.62	Joback Calculated Property
η	0.0000852	Pa×s	699.20	Joback Calculated Property
η	0.0000485	Pa×s	781.77	Joback Calculated Property
η	0.0000307	Pa×s	864.35	Joback Calculated Property
η	0.0000211	Pa×s	946.92	Joback Calculated Property
η	0.0000154	Pa×s	1029.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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