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

InChI

InChI=1S/C18H14FNO4/c19-15-4-1-2-5-16(15)24-18(22)7-3-6-17(21)23-14-10-8-13(12-20)9-11-14/h1-2,4-5,8-11H,3,6-7H2

InChI Key

KVYAJCPBAMCFGI-UHFFFAOYSA-N

Formula

C18H14FNO4

SMILES

N#Cc1ccc(OC(=O)CCCC(=O)Oc2ccccc2F)cc1

Molecular Weight¹

327.31

• 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	0.8619		Relay (1.0) Calculated Property
ΔfG°	-223.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.03	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.84	kJ/mol	Joback Calculated Property
ΔvapH°	110.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	-4.66		Relay (1.0) Calculated Property
logPoct/wat	3.379		Crippen Calculated Property
McVol	234.990	ml/mol	McGowan Calculated Property
Pc	1903.58	kPa	Joback Calculated Property
Inp	[2674.00; 2674.00]
Inp	2674.00		NIST
Inp	2674.00		NIST
Tboil	666.22	K	Relay (1.0) Calculated Property
Tc	933.06	K	Relay (1.0) Calculated Property
Tfus	359.99	K	Relay (1.0) Calculated Property
Vc	0.857	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.48; 727.59]	J/mol×K	[928.49; 1161.78]
Cp,gas	686.48	J/mol×K	928.49	Joback Calculated Property
Cp,gas	696.19	J/mol×K	967.37	Joback Calculated Property
Cp,gas	704.72	J/mol×K	1006.25	Joback Calculated Property
Cp,gas	712.09	J/mol×K	1045.13	Joback Calculated Property
Cp,gas	718.35	J/mol×K	1084.02	Joback Calculated Property
Cp,gas	723.50	J/mol×K	1122.90	Joback Calculated Property
Cp,gas	727.59	J/mol×K	1161.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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