Chemical Properties of Glutaric acid, 1-(2-fluorophenyl)ethyl propyl ester

InChI

InChI=1S/C16H21FO4/c1-3-11-20-15(18)9-6-10-16(19)21-12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12H,3,6,9-11H2,1-2H3

InChI Key

FISXOGDFFKQFHN-UHFFFAOYSA-N

Formula

C16H21FO4

SMILES

CCCOC(=O)CCCC(=O)OC(C)c1ccccc1F

Molecular Weight¹

296.33

• 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	0.7541		Relay (1.0) Calculated Property
ΔfG°	-478.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-977.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.98	kJ/mol	Joback Calculated Property
ΔvapH°	86.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-3.39		Relay (1.0) Calculated Property
logPoct/wat	3.553		Crippen Calculated Property
McVol	229.190	ml/mol	McGowan Calculated Property
Pc	1760.97	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	581.17	K	Relay (1.0) Calculated Property
Tc	771.20	K	Relay (1.0) Calculated Property
Tfus	281.67	K	Relay (1.0) Calculated Property
Vc	0.848	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[656.73; 731.34]	J/mol×K	[748.55; 946.59]
Cp,gas	656.73	J/mol×K	748.55	Joback Calculated Property
Cp,gas	671.50	J/mol×K	781.56	Joback Calculated Property
Cp,gas	685.32	J/mol×K	814.56	Joback Calculated Property
Cp,gas	698.20	J/mol×K	847.57	Joback Calculated Property
Cp,gas	710.16	J/mol×K	880.57	Joback Calculated Property
Cp,gas	721.20	J/mol×K	913.58	Joback Calculated Property
Cp,gas	731.34	J/mol×K	946.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-(2-fluorophenyl)ethyl propyl ester.

Sources

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

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