Chemical Properties of Fumaric acid, 4-nitrophenyl naphth-2-ylmethyl ester

InChI

InChI=1S/C21H15NO6/c23-20(27-14-15-5-6-16-3-1-2-4-17(16)13-15)11-12-21(24)28-19-9-7-18(8-10-19)22(25)26/h1-13H,14H2/b12-11+

InChI Key

NZFWELYRBDKACP-VAWYXSNFSA-N

Formula

C21H15NO6

SMILES

O=C(C=CC(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccc2ccccc2c1

Molecular Weight¹

377.35

• 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°	86.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-218.72	kJ/mol	Joback Calculated Property
ΔfusH°	51.61	kJ/mol	Joback Calculated Property
ΔvapH°	104.72	kJ/mol	Joback Calculated Property
log10WS	-6.32		Crippen Calculated Property
logPoct/wat	3.953		Crippen Calculated Property
McVol	267.770	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[3264.00; 3264.00]
Inp	3264.00		NIST
Inp	3264.00		NIST
Tboil	1070.76	K	Joback Calculated Property
Tc	1335.57	K	Joback Calculated Property
Tfus	719.86	K	Joback Calculated Property
Vc	1.028	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.75; 863.59]	J/mol×K	[1070.76; 1335.57]
Cp,gas	816.75	J/mol×K	1070.76	Joback Calculated Property
Cp,gas	826.21	J/mol×K	1114.89	Joback Calculated Property
Cp,gas	834.82	J/mol×K	1159.03	Joback Calculated Property
Cp,gas	842.73	J/mol×K	1203.16	Joback Calculated Property
Cp,gas	850.08	J/mol×K	1247.30	Joback Calculated Property
Cp,gas	856.99	J/mol×K	1291.43	Joback Calculated Property
Cp,gas	863.59	J/mol×K	1335.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-nitrophenyl naphth-2-ylmethyl ester.

Sources

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

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