Chemical Properties of Glutaric acid, ethyl 1-(4-fluorophenyl)ethyl ester

InChI

InChI=1S/C15H19FO4/c1-3-19-14(17)5-4-6-15(18)20-11(2)12-7-9-13(16)10-8-12/h7-11H,3-6H2,1-2H3

InChI Key

BMJVCDFEUPYHHJ-UHFFFAOYSA-N

Formula

C15H19FO4

SMILES

CCOC(=O)CCCC(=O)OC(C)c1ccc(F)cc1

Molecular Weight¹

282.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7151		Relay (1.0) Calculated Property
ΔfG°	-486.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-965.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.39	kJ/mol	Joback Calculated Property
ΔvapH°	89.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-3.17		Relay (1.0) Calculated Property
logPoct/wat	3.163		Crippen Calculated Property
McVol	215.100	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1888.00; 1888.00]
Inp	1888.00		NIST
Inp	1888.00		NIST
Tboil	571.68	K	Relay (1.0) Calculated Property
Tc	767.20	K	Relay (1.0) Calculated Property
Tfus	276.22	K	Relay (1.0) Calculated Property
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.99; 675.03]	J/mol×K	[725.67; 925.21]
Cp,gas	601.99	J/mol×K	725.67	Joback Calculated Property
Cp,gas	616.42	J/mol×K	758.93	Joback Calculated Property
Cp,gas	629.93	J/mol×K	792.18	Joback Calculated Property
Cp,gas	642.53	J/mol×K	825.44	Joback Calculated Property
Cp,gas	654.25	J/mol×K	858.69	Joback Calculated Property
Cp,gas	665.08	J/mol×K	891.95	Joback Calculated Property
Cp,gas	675.03	J/mol×K	925.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, ethyl 1-(4-fluorophenyl)ethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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