Chemical Properties of Fumaric acid, naphth-1-yl 2-fluorophenyl ester

InChI

InChI=1S/C20H13FO4/c21-16-9-3-4-10-18(16)25-20(23)13-12-19(22)24-17-11-5-7-14-6-1-2-8-15(14)17/h1-13H/b13-12+

InChI Key

CTVFZJUGOLYCFR-OUKQBFOZSA-N

Formula

C20H13FO4

SMILES

O=C(C=CC(=O)Oc1cccc2ccccc12)Oc1ccccc1F

Molecular Weight¹

336.31

• 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).
• 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
ΔfG°	-152.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-383.43	kJ/mol	Joback Calculated Property
ΔfusH°	40.73	kJ/mol	Joback Calculated Property
ΔvapH°	85.08	kJ/mol	Joback Calculated Property
log10WS	-5.74		Crippen Calculated Property
logPoct/wat	4.046		Crippen Calculated Property
McVol	238.030	ml/mol	McGowan Calculated Property
Pc	2139.38	kPa	Joback Calculated Property
Inp	[2718.00; 2718.00]
Inp	2718.00		NIST
Inp	2718.00		NIST
Tboil	895.31	K	Joback Calculated Property
Tc	1138.45	K	Joback Calculated Property
Tfus	565.57	K	Joback Calculated Property
Vc	0.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.87; 736.93]	J/mol×K	[895.31; 1138.45]
Cp,gas	680.87	J/mol×K	895.31	Joback Calculated Property
Cp,gas	692.46	J/mol×K	935.83	Joback Calculated Property
Cp,gas	703.03	J/mol×K	976.36	Joback Calculated Property
Cp,gas	712.67	J/mol×K	1016.88	Joback Calculated Property
Cp,gas	721.47	J/mol×K	1057.41	Joback Calculated Property
Cp,gas	729.52	J/mol×K	1097.93	Joback Calculated Property
Cp,gas	736.93	J/mol×K	1138.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, naphth-1-yl 2-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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