Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl isohexyl ester

InChI

InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-13-18-27-23(25)21-16-11-12-17-22(21)24(26)28-19-14-15-20(2)3/h11-12,20-22H,4-10,13-19H2,1-3H3

InChI Key

XMCMJELDIRPLHH-UHFFFAOYSA-N

Formula

C24H42O4

SMILES

CCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCC(C)C

Molecular Weight¹

394.60

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.09	kJ/mol	Joback Calculated Property
ΔvapH°	109.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.21		Relay (1.0) Calculated Property
logPoct/wat	6.232		Crippen Calculated Property
McVol	348.740	ml/mol	McGowan Calculated Property
Inp	[2646.00; 2646.00]
Inp	2646.00		NIST
Inp	2646.00		NIST
Tboil	645.06	K	Relay (1.0) Calculated Property
Tfus	293.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[1189.06; 1280.61]	J/mol×K	[914.70; 1120.82]
Cp,gas	1189.06	J/mol×K	914.70	Joback Calculated Property
Cp,gas	1208.12	J/mol×K	949.05	Joback Calculated Property
Cp,gas	1225.62	J/mol×K	983.41	Joback Calculated Property
Cp,gas	1241.59	J/mol×K	1017.76	Joback Calculated Property
Cp,gas	1256.05	J/mol×K	1052.11	Joback Calculated Property
Cp,gas	1269.05	J/mol×K	1086.47	Joback Calculated Property
Cp,gas	1280.61	J/mol×K	1120.82	Joback Calculated Property
η	[0.0000397; 0.0007330]	Pa×s	[493.46; 914.70]
η	0.0007330	Pa×s	493.46	Joback Calculated Property
η	0.0003330	Pa×s	563.67	Joback Calculated Property
η	0.0001802	Pa×s	633.87	Joback Calculated Property
η	0.0001102	Pa×s	704.08	Joback Calculated Property
η	0.0000737	Pa×s	774.29	Joback Calculated Property
η	0.0000527	Pa×s	844.49	Joback Calculated Property
η	0.0000397	Pa×s	914.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl isohexyl 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

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