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

InChI

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

InChI Key

JONVYOPBAWEDTE-UHFFFAOYSA-N

Formula

C17H14ClFO4

SMILES

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

Molecular Weight¹

336.74

• 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).
• 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
ΔfG°	-376.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.54	kJ/mol	Joback Calculated Property
ΔfusH°	39.94	kJ/mol	Joback Calculated Property
ΔvapH°	81.19	kJ/mol	Joback Calculated Property
log10WS	-5.18		Crippen 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	[2457.00; 2457.00]
Inp	2457.00		NIST
Inp	2457.00		NIST
Tboil	840.96	K	Joback Calculated Property
Tc	1068.17	K	Joback Calculated Property
Tfus	534.06	K	Joback Calculated Property
Vc	0.886	m3/kmol	Joback 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, 3-chlorophenyl 3-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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