Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl isopropyl ester

InChI

InChI=1S/C14H16ClFO4/c1-9(2)19-12(17)7-4-8-13(18)20-14-10(15)5-3-6-11(14)16/h3,5-6,9H,4,7-8H2,1-2H3

InChI Key

ODXBTPXPFAMCRM-UHFFFAOYSA-N

Formula

C14H16ClFO4

SMILES

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

Molecular Weight¹

302.73

• 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	0.7482		Relay (1.0) Calculated Property
ΔfG°	-516.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	34.61	kJ/mol	Joback Calculated Property
ΔvapH°	85.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	3.506		Crippen Calculated Property
McVol	213.250	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	554.35	K	Relay (1.0) Calculated Property
Tc	786.23	K	Relay (1.0) Calculated Property
Tfus	313.23	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[573.21; 637.29]	J/mol×K	[745.20; 951.12]
Cp,gas	573.21	J/mol×K	745.20	Joback Calculated Property
Cp,gas	586.08	J/mol×K	779.52	Joback Calculated Property
Cp,gas	598.07	J/mol×K	813.84	Joback Calculated Property
Cp,gas	609.18	J/mol×K	848.16	Joback Calculated Property
Cp,gas	619.42	J/mol×K	882.48	Joback Calculated Property
Cp,gas	628.79	J/mol×K	916.80	Joback Calculated Property
Cp,gas	637.29	J/mol×K	951.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl isopropyl ester.

Sources

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

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