Chemical Properties of Glutaric acid, naphth-2-ylmethyl 3-fluorophenyl ester

InChI

InChI=1S/C22H19FO4/c23-19-7-3-8-20(14-19)27-22(25)10-4-9-21(24)26-15-16-11-12-17-5-1-2-6-18(17)13-16/h1-3,5-8,11-14H,4,9-10,15H2

InChI Key

LYXSNYGHZGLCPB-UHFFFAOYSA-N

Formula

C22H19FO4

SMILES

O=C(CCCC(=O)Oc1cccc(F)c1)OCc1ccc2ccccc2c1

Molecular Weight¹

366.38

• 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	0.8842		Relay (1.0) Calculated Property
ΔfG°	-216.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.71	kJ/mol	Joback Calculated Property
ΔvapH°	123.89	kJ/mol	Relay (1.0) Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-5.57		Relay (1.0) Calculated Property
logPoct/wat	4.798		Crippen Calculated Property
McVol	270.510	ml/mol	McGowan Calculated Property
Pc	1727.46	kPa	Joback Calculated Property
Inp	[3054.00; 3054.00]
Inp	3054.00		NIST
Inp	3054.00		NIST
Tboil	719.30	K	Relay (1.0) Calculated Property
Tc	995.07	K	Relay (1.0) Calculated Property
Tfus	353.04	K	Relay (1.0) Calculated Property
Vc	0.992	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[823.04; 881.41]	J/mol×K	[936.91; 1169.23]
Cp,gas	823.04	J/mol×K	936.91	Joback Calculated Property
Cp,gas	835.36	J/mol×K	975.63	Joback Calculated Property
Cp,gas	846.54	J/mol×K	1014.35	Joback Calculated Property
Cp,gas	856.66	J/mol×K	1053.07	Joback Calculated Property
Cp,gas	865.80	J/mol×K	1091.79	Joback Calculated Property
Cp,gas	874.02	J/mol×K	1130.51	Joback Calculated Property
Cp,gas	881.41	J/mol×K	1169.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, naphth-2-ylmethyl 3-fluorophenyl ester.

Sources

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

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