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

InChI

InChI=1S/C22H38O4/c1-4-5-6-7-8-9-12-16-25-21(23)19-13-10-11-14-20(19)22(24)26-17-15-18(2)3/h10-11,18-20H,4-9,12-17H2,1-3H3

InChI Key

YUFNOQZUWJOJQV-UHFFFAOYSA-N

Formula

C22H38O4

SMILES

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

Molecular Weight¹

366.54

• 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°	52.08	kJ/mol	Joback Calculated Property
ΔvapH°	102.72	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.60		Relay (1.0) Calculated Property
logPoct/wat	5.452		Crippen Calculated Property
McVol	320.560	ml/mol	McGowan Calculated Property
Inp	[2445.00; 2445.00]
Inp	2445.00		NIST
Inp	2445.00		NIST
Tboil	630.84	K	Relay (1.0) Calculated Property
Tc	828.02	K	Relay (1.0) Calculated Property
Tfus	282.70	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	[1047.35; 1141.87]	J/mol×K	[833.00; 1027.44]
Cp,gas	1047.35	J/mol×K	833.00	Joback Calculated Property
Cp,gas	1066.62	J/mol×K	865.41	Joback Calculated Property
Cp,gas	1084.44	J/mol×K	897.81	Joback Calculated Property
Cp,gas	1100.86	J/mol×K	930.22	Joback Calculated Property
Cp,gas	1115.88	J/mol×K	962.63	Joback Calculated Property
Cp,gas	1129.54	J/mol×K	995.03	Joback Calculated Property
Cp,gas	1141.87	J/mol×K	1027.44	Joback Calculated Property
η	[0.0000407; 0.0015936]	Pa×s	[411.26; 833.00]
η	0.0015936	Pa×s	411.26	Joback Calculated Property
η	0.0005534	Pa×s	481.55	Joback Calculated Property
η	0.0002516	Pa×s	551.84	Joback Calculated Property
η	0.0001367	Pa×s	622.13	Joback Calculated Property
η	0.0000841	Pa×s	692.42	Joback Calculated Property
η	0.0000565	Pa×s	762.71	Joback Calculated Property
η	0.0000407	Pa×s	833.00	Joback Calculated Property

Similar Compounds

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

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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