Chemical Properties of Glutaric acid, cyclohexylmethyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C20H28O4/c1-15-8-6-11-18(16(15)2)24-20(22)13-7-12-19(21)23-14-17-9-4-3-5-10-17/h6,8,11,17H,3-5,7,9-10,12-14H2,1-2H3

InChI Key

KLRYPRLQCNNICL-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

Cc1cccc(OC(=O)CCCC(=O)OCC2CCCCC2)c1C

Molecular Weight¹

332.43

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.39	kJ/mol	Joback Calculated Property
logPoct/wat	4.503		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Inp	[2603.00; 2603.00]
Inp	2603.00		NIST
Inp	2603.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[859.10; 940.69]	J/mol×K	[829.83; 1045.84]
Cp,gas	859.10	J/mol×K	829.83	Joback Calculated Property
Cp,gas	876.49	J/mol×K	865.83	Joback Calculated Property
Cp,gas	892.32	J/mol×K	901.83	Joback Calculated Property
Cp,gas	906.63	J/mol×K	937.83	Joback Calculated Property
Cp,gas	919.45	J/mol×K	973.84	Joback Calculated Property
Cp,gas	930.79	J/mol×K	1009.84	Joback Calculated Property
Cp,gas	940.69	J/mol×K	1045.84	Joback Calculated Property
η	[0.0000444; 0.0008518]	Pa×s	[458.66; 829.83]
η	0.0008518	Pa×s	458.66	Joback Calculated Property
η	0.0003887	Pa×s	520.52	Joback Calculated Property
η	0.0002095	Pa×s	582.38	Joback Calculated Property
η	0.0001272	Pa×s	644.25	Joback Calculated Property
η	0.0000842	Pa×s	706.11	Joback Calculated Property
η	0.0000596	Pa×s	767.97	Joback Calculated Property
η	0.0000444	Pa×s	829.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, cyclohexylmethyl 2,3-dimethylphenyl 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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