Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester

InChI

InChI=1S/C29H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-32-28(30)26-20-17-18-21-27(26)29(31)33-24-22-25(2)3/h17-18,25-27H,4-16,19-24H2,1-3H3

InChI Key

ORTDMZUJPDFFPI-UHFFFAOYSA-N

Formula

C29H52O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCC(C)C

Molecular Weight¹

464.72

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	67.05	kJ/mol	Joback Calculated Property
ΔvapH°	130.46	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.77		Relay (1.0) Calculated Property
logPoct/wat	8.183		Crippen Calculated Property
McVol	419.190	ml/mol	McGowan Calculated Property
Inp	[3156.00; 3156.00]
Inp	3156.00		NIST
Inp	3156.00		NIST
Tboil	678.19	K	Relay (1.0) Calculated Property
Tc	880.43	K	Relay (1.0) Calculated Property
Tfus	305.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1507.59; 1596.14]	J/mol×K	[1029.10; 1267.06]
Cp,gas	1507.59	J/mol×K	1029.10	Joback Calculated Property
Cp,gas	1527.59	J/mol×K	1068.76	Joback Calculated Property
Cp,gas	1545.40	J/mol×K	1108.42	Joback Calculated Property
Cp,gas	1561.09	J/mol×K	1148.08	Joback Calculated Property
Cp,gas	1574.73	J/mol×K	1187.74	Joback Calculated Property
Cp,gas	1586.39	J/mol×K	1227.40	Joback Calculated Property
Cp,gas	1596.14	J/mol×K	1267.06	Joback Calculated Property
η	[0.0000187; 0.0003927]	Pa×s	[549.81; 1029.10]
η	0.0003927	Pa×s	549.81	Joback Calculated Property
η	0.0001713	Pa×s	629.69	Joback Calculated Property
η	0.0000900	Pa×s	709.57	Joback Calculated Property
η	0.0000539	Pa×s	789.46	Joback Calculated Property
η	0.0000355	Pa×s	869.34	Joback Calculated Property
η	0.0000250	Pa×s	949.22	Joback Calculated Property
η	0.0000187	Pa×s	1029.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, hexadecyl 3-methylbutyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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