Chemical Properties of Glutaric acid, 2-fluorophenyl 10-chlorodecyl ester

InChI

InChI=1S/C21H30ClFO4/c22-16-9-5-3-1-2-4-6-10-17-26-20(24)14-11-15-21(25)27-19-13-8-7-12-18(19)23/h7-8,12-13H,1-6,9-11,14-17H2

InChI Key

CTINSQNLZTYWBE-UHFFFAOYSA-N

Formula

C21H30ClFO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)OCCCCCCCCCCCl

Molecular Weight¹

400.91

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	-1044.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.81	kJ/mol	Joback Calculated Property
ΔvapH°	117.63	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.804		Crippen Calculated Property
McVol	311.880	ml/mol	McGowan Calculated Property
Inp	[2892.00; 2892.00]
Inp	2892.00		NIST
Inp	2892.00		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	[958.76; 1031.44]	J/mol×K	[864.88; 1063.17]
Cp,gas	958.76	J/mol×K	864.88	Joback Calculated Property
Cp,gas	973.80	J/mol×K	897.93	Joback Calculated Property
Cp,gas	987.63	J/mol×K	930.98	Joback Calculated Property
Cp,gas	1000.27	J/mol×K	964.03	Joback Calculated Property
Cp,gas	1011.77	J/mol×K	997.08	Joback Calculated Property
Cp,gas	1022.15	J/mol×K	1030.13	Joback Calculated Property
Cp,gas	1031.44	J/mol×K	1063.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 10-chlorodecyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.