Chemical Properties of Glutaric acid, naphth-2-ylmethyl 2-chloro-6-fluorophenyl ester

InChI

InChI=1S/C22H18ClFO4/c23-18-7-3-8-19(24)22(18)28-21(26)10-4-9-20(25)27-14-15-11-12-16-5-1-2-6-17(16)13-15/h1-3,5-8,11-13H,4,9-10,14H2

InChI Key

MIRLMDWNUSBMFI-UHFFFAOYSA-N

Formula

C22H18ClFO4

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc1ccc2ccccc2c1

Molecular Weight¹

400.83

• 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	0.9040		Relay (1.0) Calculated Property
ΔfG°	-237.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-653.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.52	kJ/mol	Joback Calculated Property
ΔvapH°	128.16	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.451		Crippen Calculated Property
McVol	282.750	ml/mol	McGowan Calculated Property
Pc	1655.15	kPa	Joback Calculated Property
Inp	[3213.00; 3213.00]
Inp	3213.00		NIST
Inp	3213.00		NIST
Tboil	710.82	K	Relay (1.0) Calculated Property
Tc	1013.64	K	Relay (1.0) Calculated Property
Tfus	359.87	K	Relay (1.0) Calculated Property
Vc	1.029	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[841.85; 892.84]	J/mol×K	[979.32; 1216.30]
Cp,gas	841.85	J/mol×K	979.32	Joback Calculated Property
Cp,gas	852.86	J/mol×K	1018.82	Joback Calculated Property
Cp,gas	862.76	J/mol×K	1058.31	Joback Calculated Property
Cp,gas	871.64	J/mol×K	1097.81	Joback Calculated Property
Cp,gas	879.57	J/mol×K	1137.31	Joback Calculated Property
Cp,gas	886.61	J/mol×K	1176.80	Joback Calculated Property
Cp,gas	892.84	J/mol×K	1216.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 2-chloro-6-fluorophenyl ester.

Sources

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

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