Chemical Properties of Succinic acid, 2-naphthylmethyl 2-fluoro-3-(trifluoromethyl)phenyl ester

InChI

InChI=1S/C22H16F4O4/c23-21-17(22(24,25)26)6-3-7-18(21)30-20(28)11-10-19(27)29-13-14-8-9-15-4-1-2-5-16(15)12-14/h1-9,12H,10-11,13H2

InChI Key

ZKZBOIGZEHGIEO-UHFFFAOYSA-N

Formula

C22H16F4O4

SMILES

O=C(CCC(=O)Oc1cccc(C(F)(F)F)c1F)OCc1ccc2ccccc2c1

Molecular Weight¹

420.35

• 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	0.8810		Relay (1.0) Calculated Property
ΔfG°	-807.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1275.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.15	kJ/mol	Joback Calculated Property
ΔvapH°	117.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-6.12		Relay (1.0) Calculated Property
logPoct/wat	5.427		Crippen Calculated Property
McVol	275.820	ml/mol	McGowan Calculated Property
Pc	1553.67	kPa	Joback Calculated Property
Inp	[2928.00; 2928.00]
Inp	2928.00		NIST
Inp	2928.00		NIST
Tboil	712.43	K	Relay (1.0) Calculated Property
Tc	962.00	K	Relay (1.0) Calculated Property
Tfus	370.23	K	Relay (1.0) Calculated Property
Vc	1.007	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.61; 898.20]	J/mol×K	[936.47; 1159.95]
Cp,gas	843.61	J/mol×K	936.47	Joback Calculated Property
Cp,gas	854.83	J/mol×K	973.72	Joback Calculated Property
Cp,gas	865.09	J/mol×K	1010.96	Joback Calculated Property
Cp,gas	874.47	J/mol×K	1048.21	Joback Calculated Property
Cp,gas	883.05	J/mol×K	1085.45	Joback Calculated Property
Cp,gas	890.94	J/mol×K	1122.70	Joback Calculated Property
Cp,gas	898.20	J/mol×K	1159.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-naphthylmethyl 2-fluoro-3-(trifluoromethyl)phenyl ester.

Sources

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

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