Chemical Properties of Glutaric acid, 8-chlorooctyl 2,6-dimethoxyphenyl ester

InChI

InChI=1S/C21H31ClO6/c1-25-17-11-9-12-18(26-2)21(17)28-20(24)14-10-13-19(23)27-16-8-6-4-3-5-7-15-22/h9,11-12H,3-8,10,13-16H2,1-2H3

InChI Key

PGSCOAIZQAJRJI-UHFFFAOYSA-N

Formula

C21H31ClO6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCCCCCCCCCl

Molecular Weight¹

414.93

• 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	-1107.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.72	kJ/mol	Joback Calculated Property
ΔvapH°	118.03	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.902		Crippen Calculated Property
McVol	321.850	ml/mol	McGowan Calculated Property
Inp	[3075.00; 3075.00]
Inp	3075.00		NIST
Inp	3075.00		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	[1008.02; 1069.56]	J/mol×K	[915.43; 1122.79]
Cp,gas	1008.02	J/mol×K	915.43	Joback Calculated Property
Cp,gas	1022.02	J/mol×K	949.99	Joback Calculated Property
Cp,gas	1034.52	J/mol×K	984.55	Joback Calculated Property
Cp,gas	1045.52	J/mol×K	1019.11	Joback Calculated Property
Cp,gas	1055.03	J/mol×K	1053.67	Joback Calculated Property
Cp,gas	1063.04	J/mol×K	1088.23	Joback Calculated Property
Cp,gas	1069.56	J/mol×K	1122.79	Joback Calculated Property
η	[0.0000174; 0.0002409]	Pa×s	[536.93; 915.43]
η	0.0002409	Pa×s	536.93	Joback Calculated Property
η	0.0001235	Pa×s	600.01	Joback Calculated Property
η	0.0000719	Pa×s	663.10	Joback Calculated Property
η	0.0000459	Pa×s	726.18	Joback Calculated Property
η	0.0000316	Pa×s	789.26	Joback Calculated Property
η	0.0000229	Pa×s	852.35	Joback Calculated Property
η	0.0000174	Pa×s	915.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 8-chlorooctyl 2,6-dimethoxyphenyl 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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