Chemical Properties of Glutaric acid, 8-chlorooctyl 2,3-dimethylphenyl ester

InChI

InChI=1S/C21H31ClO4/c1-17-11-9-12-19(18(17)2)26-21(24)14-10-13-20(23)25-16-8-6-4-3-5-7-15-22/h9,11-12H,3-8,10,13-16H2,1-2H3

InChI Key

SOSPASNDBVZDDQ-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

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

Molecular Weight¹

382.92

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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
ΔfH°gas	-903.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.34	kJ/mol	Joback Calculated Property
ΔvapH°	114.50	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.502		Crippen Calculated Property
McVol	310.110	ml/mol	McGowan Calculated Property
Inp	[2931.00; 2931.00]
Inp	2931.00		NIST
Inp	2931.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[950.74; 1024.05]	J/mol×K	[870.59; 1072.69]
Cp,gas	950.74	J/mol×K	870.59	Joback Calculated Property
Cp,gas	965.99	J/mol×K	904.27	Joback Calculated Property
Cp,gas	980.00	J/mol×K	937.96	Joback Calculated Property
Cp,gas	992.79	J/mol×K	971.64	Joback Calculated Property
Cp,gas	1004.37	J/mol×K	1005.32	Joback Calculated Property
Cp,gas	1014.78	J/mol×K	1039.01	Joback Calculated Property
Cp,gas	1024.05	J/mol×K	1072.69	Joback Calculated Property
η	[0.0000318; 0.0005202]	Pa×s	[492.47; 870.59]
η	0.0005202	Pa×s	492.47	Joback Calculated Property
η	0.0002507	Pa×s	555.49	Joback Calculated Property
η	0.0001401	Pa×s	618.51	Joback Calculated Property
η	0.0000873	Pa×s	681.53	Joback Calculated Property
η	0.0000589	Pa×s	744.55	Joback Calculated Property
η	0.0000422	Pa×s	807.57	Joback Calculated Property
η	0.0000318	Pa×s	870.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 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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