Chemical Properties of Fumaric acid, 2-nitrophenyl 2-fluorophenyl ester

InChI

InChI=1S/C16H10FNO6/c17-11-5-1-3-7-13(11)23-15(19)9-10-16(20)24-14-8-4-2-6-12(14)18(21)22/h1-10H/b10-9+

InChI Key

WCIGVJVDAZONMQ-MDZDMXLPSA-N

Formula

C16H10FNO6

SMILES

O=C(C=CC(=O)Oc1ccccc1[N+](=O)[O-])Oc1ccccc1F

Molecular Weight¹

331.25

• 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°	-257.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-502.70	kJ/mol	Joback Calculated Property
ΔfusH°	44.72	kJ/mol	Joback Calculated Property
ΔvapH°	91.13	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	2.801		Crippen Calculated Property
McVol	218.550	ml/mol	McGowan Calculated Property
Pc	2472.73	kPa	Joback Calculated Property
Inp	[2519.00; 2519.00]
Inp	2519.00		NIST
Inp	2519.00		NIST
Tboil	936.65	K	Joback Calculated Property
Tc	1188.53	K	Joback Calculated Property
Tfus	631.40	K	Joback Calculated Property
Vc	0.844	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.44; 663.67]	J/mol×K	[936.65; 1188.53]
Cp,gas	626.44	J/mol×K	936.65	Joback Calculated Property
Cp,gas	635.33	J/mol×K	978.63	Joback Calculated Property
Cp,gas	643.07	J/mol×K	1020.61	Joback Calculated Property
Cp,gas	649.72	J/mol×K	1062.59	Joback Calculated Property
Cp,gas	655.33	J/mol×K	1104.57	Joback Calculated Property
Cp,gas	659.96	J/mol×K	1146.55	Joback Calculated Property
Cp,gas	663.67	J/mol×K	1188.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-nitrophenyl 2-fluorophenyl ester.

Sources

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

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