Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester

InChI

InChI=1S/C18H13ClFNO4/c19-14-3-1-4-15(20)18(14)25-17(23)6-2-5-16(22)24-13-9-7-12(11-21)8-10-13/h1,3-4,7-10H,2,5-6H2

InChI Key

IKVNSRPJOGXNDK-UHFFFAOYSA-N

Formula

C18H13ClFNO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)Oc2c(F)cccc2Cl)cc1

Molecular Weight¹

361.75

• 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°	-244.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-512.77	kJ/mol	Joback Calculated Property
ΔfusH°	43.65	kJ/mol	Joback Calculated Property
ΔvapH°	94.56	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.032		Crippen Calculated Property
McVol	247.230	ml/mol	McGowan Calculated Property
Pc	1820.06	kPa	Joback Calculated Property
Inp	[2823.00; 2823.00]
Inp	2823.00		NIST
Inp	2823.00		NIST
Tboil	970.90	K	Joback Calculated Property
Tc	1208.60	K	Joback Calculated Property
Tfus	622.84	K	Joback Calculated Property
Vc	0.969	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[702.45; 734.68]	J/mol×K	[970.90; 1208.60]
Cp,gas	702.45	J/mol×K	970.90	Joback Calculated Property
Cp,gas	710.74	J/mol×K	1010.52	Joback Calculated Property
Cp,gas	717.83	J/mol×K	1050.13	Joback Calculated Property
Cp,gas	723.75	J/mol×K	1089.75	Joback Calculated Property
Cp,gas	728.51	J/mol×K	1129.37	Joback Calculated Property
Cp,gas	732.15	J/mol×K	1168.98	Joback Calculated Property
Cp,gas	734.68	J/mol×K	1208.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 4-cyanophenyl ester.

Sources

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

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