Chemical Properties of Glutaric acid, 2-(4-fluorophenyl)ethyl hexyl ester

InChI

InChI=1S/C19H27FO4/c1-2-3-4-5-14-23-18(21)7-6-8-19(22)24-15-13-16-9-11-17(20)12-10-16/h9-12H,2-8,13-15H2,1H3

InChI Key

SQQWYFXPGUSZCC-UHFFFAOYSA-N

Formula

C19H27FO4

SMILES

CCCCCCOC(=O)CCCC(=O)OCCc1ccc(F)cc1

Molecular Weight¹

338.42

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ΔfH°gas	-1016.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.44	kJ/mol	Joback Calculated Property
ΔvapH°	102.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-4.83		Relay (1.0) Calculated Property
logPoct/wat	4.205		Crippen Calculated Property
McVol	271.460	ml/mol	McGowan Calculated Property
Pc	1311.80	kPa	Joback Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST
Tboil	643.32	K	Relay (1.0) Calculated Property
Tc	814.13	K	Relay (1.0) Calculated Property
Tfus	276.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[813.74; 892.62]	J/mol×K	[781.69; 971.58]
Cp,gas	813.74	J/mol×K	781.69	Joback Calculated Property
Cp,gas	829.53	J/mol×K	813.34	Joback Calculated Property
Cp,gas	844.23	J/mol×K	844.99	Joback Calculated Property
Cp,gas	857.87	J/mol×K	876.64	Joback Calculated Property
Cp,gas	870.47	J/mol×K	908.29	Joback Calculated Property
Cp,gas	882.04	J/mol×K	939.94	Joback Calculated Property
Cp,gas	892.62	J/mol×K	971.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(4-fluorophenyl)ethyl hexyl ester.

Sources

• Cheméo Relay (1.0)
• 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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