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

InChI

InChI=1S/C20H34O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,16-18H,4-7,10-15H2,1-3H3

InChI Key

QZQADGKFNCDFKI-UHFFFAOYSA-N

Formula

C20H34O4

SMILES

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

Molecular Weight¹

338.48

• 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°	46.90	kJ/mol	Joback Calculated Property
ΔvapH°	95.34	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.00		Relay (1.0) Calculated Property
logPoct/wat	4.672		Crippen Calculated Property
McVol	292.380	ml/mol	McGowan Calculated Property
Inp	[2249.00; 2249.00]
Inp	2249.00		NIST
Inp	2249.00		NIST
Tboil	616.01	K	Relay (1.0) Calculated Property
Tc	810.29	K	Relay (1.0) Calculated Property
Tfus	276.19	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	[925.71; 1021.02]	J/mol×K	[787.24; 979.83]
Cp,gas	925.71	J/mol×K	787.24	Joback Calculated Property
Cp,gas	944.89	J/mol×K	819.34	Joback Calculated Property
Cp,gas	962.72	J/mol×K	851.44	Joback Calculated Property
Cp,gas	979.23	J/mol×K	883.54	Joback Calculated Property
Cp,gas	994.44	J/mol×K	915.64	Joback Calculated Property
Cp,gas	1008.36	J/mol×K	947.73	Joback Calculated Property
Cp,gas	1021.02	J/mol×K	979.83	Joback Calculated Property
η	[0.0000542; 0.0020546]	Pa×s	[388.72; 787.24]
η	0.0020546	Pa×s	388.72	Joback Calculated Property
η	0.0007204	Pa×s	455.14	Joback Calculated Property
η	0.0003298	Pa×s	521.56	Joback Calculated Property
η	0.0001802	Pa×s	587.98	Joback Calculated Property
η	0.0001113	Pa×s	654.40	Joback Calculated Property
η	0.0000751	Pa×s	720.82	Joback Calculated Property
η	0.0000542	Pa×s	787.24	Joback Calculated Property

Similar Compounds

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