Chemical Properties of Glutaric acid, 2-fluorophenyl 3-chlorophenyl ester

InChI

InChI=1S/C17H14ClFO4/c18-12-5-3-6-13(11-12)22-16(20)9-4-10-17(21)23-15-8-2-1-7-14(15)19/h1-3,5-8,11H,4,9-10H2

InChI Key

ITSVIMTUSGRGPG-UHFFFAOYSA-N

Formula

C17H14ClFO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)Oc1cccc(Cl)c1

Molecular Weight¹

336.74

• 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	0.8124		Relay (1.0) Calculated Property
ΔfG°	-376.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-736.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.94	kJ/mol	Joback Calculated Property
ΔvapH°	105.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-5.03		Relay (1.0) Calculated Property
logPoct/wat	4.160		Crippen Calculated Property
McVol	231.760	ml/mol	McGowan Calculated Property
Pc	2051.17	kPa	Joback Calculated Property
Inp	[2476.00; 2476.00]
Inp	2476.00		NIST
Inp	2476.00		NIST
Tboil	640.82	K	Relay (1.0) Calculated Property
Tc	895.81	K	Relay (1.0) Calculated Property
Tfus	328.33	K	Relay (1.0) Calculated Property
Vc	0.845	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.78; 695.73]	J/mol×K	[840.96; 1068.17]
Cp,gas	641.78	J/mol×K	840.96	Joback Calculated Property
Cp,gas	653.54	J/mol×K	878.83	Joback Calculated Property
Cp,gas	664.15	J/mol×K	916.70	Joback Calculated Property
Cp,gas	673.66	J/mol×K	954.56	Joback Calculated Property
Cp,gas	682.07	J/mol×K	992.43	Joback Calculated Property
Cp,gas	689.42	J/mol×K	1030.30	Joback Calculated Property
Cp,gas	695.73	J/mol×K	1068.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 3-chlorophenyl ester.

Sources

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

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