Chemical Properties of Glutaric acid, but-3-en-2-yl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C15H16ClFO4/c1-3-10(2)20-13(18)8-5-9-14(19)21-15-11(16)6-4-7-12(15)17/h3-4,6-7,10H,1,5,8-9H2,2H3

InChI Key

KJDFQKBPAZVRBW-UHFFFAOYSA-N

Formula

C15H16ClFO4

SMILES

C=CC(C)OC(=O)CCCC(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

314.74

• 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	0.7302		Relay (1.0) Calculated Property
ΔfG°	-420.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-829.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.92	kJ/mol	Joback Calculated Property
ΔvapH°	87.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.672		Crippen Calculated Property
McVol	223.040	ml/mol	McGowan Calculated Property
Pc	1895.30	kPa	Joback Calculated Property
Inp	[1977.00; 1977.00]
Inp	1977.00		NIST
Inp	1977.00		NIST
Tboil	576.51	K	Relay (1.0) Calculated Property
Tc	794.96	K	Relay (1.0) Calculated Property
Tfus	310.19	K	Relay (1.0) Calculated Property
Vc	0.799	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[601.99; 664.81]	J/mol×K	[764.76; 971.64]
Cp,gas	601.99	J/mol×K	764.76	Joback Calculated Property
Cp,gas	614.69	J/mol×K	799.24	Joback Calculated Property
Cp,gas	626.48	J/mol×K	833.72	Joback Calculated Property
Cp,gas	637.37	J/mol×K	868.20	Joback Calculated Property
Cp,gas	647.38	J/mol×K	902.68	Joback Calculated Property
Cp,gas	656.53	J/mol×K	937.16	Joback Calculated Property
Cp,gas	664.81	J/mol×K	971.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-en-2-yl 2-chloro-6-fluorophenyl ester.

Sources

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

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