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

InChI

InChI=1S/C23H40O4/c1-4-5-6-7-8-9-12-17-26-22(24)20-15-10-11-16-21(20)23(25)27-18-13-14-19(2)3/h10-11,19-21H,4-9,12-18H2,1-3H3

InChI Key

DKICQLQCSBGJMM-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

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

Molecular Weight¹

380.56

• 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°	51.50	kJ/mol	Joback Calculated Property
ΔvapH°	105.33	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.89		Relay (1.0) Calculated Property
logPoct/wat	5.842		Crippen Calculated Property
McVol	334.650	ml/mol	McGowan Calculated Property
Inp	[2540.00; 2540.00]
Inp	2540.00		NIST
Inp	2540.00		NIST
Tboil	638.16	K	Relay (1.0) Calculated Property
Tfus	289.81	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	[1126.49; 1218.41]	J/mol×K	[891.82; 1094.61]
Cp,gas	1126.49	J/mol×K	891.82	Joback Calculated Property
Cp,gas	1145.43	J/mol×K	925.62	Joback Calculated Property
Cp,gas	1162.89	J/mol×K	959.42	Joback Calculated Property
Cp,gas	1178.89	J/mol×K	993.22	Joback Calculated Property
Cp,gas	1193.46	J/mol×K	1027.01	Joback Calculated Property
Cp,gas	1206.62	J/mol×K	1060.81	Joback Calculated Property
Cp,gas	1218.41	J/mol×K	1094.61	Joback Calculated Property
η	[0.0000458; 0.0008228]	Pa×s	[482.19; 891.82]
η	0.0008228	Pa×s	482.19	Joback Calculated Property
η	0.0003773	Pa×s	550.46	Joback Calculated Property
η	0.0002055	Pa×s	618.73	Joback Calculated Property
η	0.0001263	Pa×s	687.01	Joback Calculated Property
η	0.0000847	Pa×s	755.28	Joback Calculated Property
η	0.0000608	Pa×s	823.55	Joback Calculated Property
η	0.0000458	Pa×s	891.82	Joback Calculated Property

Similar Compounds

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