Chemical Properties of Fumaric acid, naphth-2-yl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C17H12F4O4/c18-16(19)17(20,21)10-24-14(22)7-8-15(23)25-13-6-5-11-3-1-2-4-12(11)9-13/h1-9,16H,10H2/b8-7+

InChI Key

NXATWHFSNAFXCX-BQYQJAHWSA-N

Formula

C17H12F4O4

SMILES

O=C(C=CC(=O)Oc1ccc2ccccc2c1)OCC(F)(F)C(F)F

Molecular Weight¹

356.27

• 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	0.7780		Relay (1.0) Calculated Property
ΔfG°	-864.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1306.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.62	kJ/mol	Joback Calculated Property
ΔvapH°	102.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-5.53		Relay (1.0) Calculated Property
logPoct/wat	3.745		Crippen Calculated Property
McVol	224.830	ml/mol	McGowan Calculated Property
Pc	1893.65	kPa	Joback Calculated Property
Inp	[2207.00; 2207.00]
Inp	2207.00		NIST
Inp	2207.00		NIST
Tboil	645.82	K	Relay (1.0) Calculated Property
Tc	865.58	K	Relay (1.0) Calculated Property
Tfus	377.01	K	Relay (1.0) Calculated Property
Vc	0.790	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[640.79; 698.24]	J/mol×K	[789.15; 997.56]
Cp,gas	640.79	J/mol×K	789.15	Joback Calculated Property
Cp,gas	652.29	J/mol×K	823.89	Joback Calculated Property
Cp,gas	662.93	J/mol×K	858.62	Joback Calculated Property
Cp,gas	672.77	J/mol×K	893.36	Joback Calculated Property
Cp,gas	681.88	J/mol×K	928.09	Joback Calculated Property
Cp,gas	690.35	J/mol×K	962.83	Joback Calculated Property
Cp,gas	698.24	J/mol×K	997.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-2-yl 2,2,3,3-tetrafluoropropyl ester.

Sources

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

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