Chemical Properties of Succinic acid, naphth-2-ylmethyl 2,3,4-trifluorophenyl ester

InChI

InChI=1S/C21H15F3O4/c22-16-7-8-17(21(24)20(16)23)28-19(26)10-9-18(25)27-12-13-5-6-14-3-1-2-4-15(14)11-13/h1-8,11H,9-10,12H2

InChI Key

STQSZZHFAFRZPK-UHFFFAOYSA-N

Formula

C21H15F3O4

SMILES

O=C(CCC(=O)Oc1ccc(F)c(F)c1F)OCc1ccc2ccccc2c1

Molecular Weight¹

388.34

• 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	0.8705		Relay (1.0) Calculated Property
ΔfG°	-633.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-948.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.50	kJ/mol	Joback Calculated Property
ΔvapH°	119.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-6.14		Relay (1.0) Calculated Property
logPoct/wat	4.686		Crippen Calculated Property
McVol	259.960	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2894.00; 2894.00]
Inp	2894.00		NIST
Inp	2894.00		NIST
Tboil	698.06	K	Relay (1.0) Calculated Property
Tc	963.81	K	Relay (1.0) Calculated Property
Tfus	354.66	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[777.05; 829.03]	J/mol×K	[922.53; 1146.11]
Cp,gas	777.05	J/mol×K	922.53	Joback Calculated Property
Cp,gas	788.17	J/mol×K	959.79	Joback Calculated Property
Cp,gas	798.24	J/mol×K	997.06	Joback Calculated Property
Cp,gas	807.31	J/mol×K	1034.32	Joback Calculated Property
Cp,gas	815.44	J/mol×K	1071.58	Joback Calculated Property
Cp,gas	822.66	J/mol×K	1108.84	Joback Calculated Property
Cp,gas	829.03	J/mol×K	1146.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, naphth-2-ylmethyl 2,3,4-trifluorophenyl ester.

Sources

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

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