Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 1-naphthyl ester

InChI

InChI=1S/C21H16ClFO4/c22-16-9-4-10-17(23)21(16)27-20(25)13-5-12-19(24)26-18-11-3-7-14-6-1-2-8-15(14)18/h1-4,6-11H,5,12-13H2

InChI Key

GCQQGTKIJDEJCS-UHFFFAOYSA-N

Formula

C21H16ClFO4

SMILES

O=C(CCCC(=O)Oc1cccc2ccccc12)Oc1c(F)cccc1Cl

Molecular Weight¹

386.80

• 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	0.8836		Relay (1.0) Calculated Property
ΔfG°	-246.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-655.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.93	kJ/mol	Joback Calculated Property
ΔvapH°	124.14	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	5.314		Crippen Calculated Property
McVol	268.660	ml/mol	McGowan Calculated Property
Pc	1792.42	kPa	Joback Calculated Property
Inp	[3083.00; 3083.00]
Inp	3083.00		NIST
Inp	3083.00		NIST
Tboil	693.45	K	Relay (1.0) Calculated Property
Tc	1012.87	K	Relay (1.0) Calculated Property
Tfus	360.20	K	Relay (1.0) Calculated Property
Vc	0.978	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[784.34; 834.26]	J/mol×K	[956.44; 1194.46]
Cp,gas	784.34	J/mol×K	956.44	Joback Calculated Property
Cp,gas	795.16	J/mol×K	996.11	Joback Calculated Property
Cp,gas	804.89	J/mol×K	1035.78	Joback Calculated Property
Cp,gas	813.60	J/mol×K	1075.45	Joback Calculated Property
Cp,gas	821.35	J/mol×K	1115.12	Joback Calculated Property
Cp,gas	828.21	J/mol×K	1154.79	Joback Calculated Property
Cp,gas	834.26	J/mol×K	1194.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 1-naphthyl ester.

Sources

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

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