Chemical Properties of Fumaric acid, isobutyl 3-nitrophenyl ester

InChI

InChI=1S/C14H15NO6/c1-10(2)9-20-13(16)6-7-14(17)21-12-5-3-4-11(8-12)15(18)19/h3-8,10H,9H2,1-2H3/b7-6+

InChI Key

ASMQUBPIPQANDH-VOTSOKGWSA-N

Formula

C14H15NO6

SMILES

CC(C)COC(=O)C=CC(=O)Oc1cccc([N+](=O)[O-])c1

Molecular Weight¹

293.27

• 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°	-184.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.65	kJ/mol	Joback Calculated Property
ΔfusH°	39.28	kJ/mol	Joback Calculated Property
ΔvapH°	84.17	kJ/mol	Joback Calculated Property
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	2.256		Crippen Calculated Property
McVol	212.360	ml/mol	McGowan Calculated Property
Pc	2306.95	kPa	Joback Calculated Property
Inp	[2285.00; 2285.00]
Inp	2285.00		NIST
Inp	2285.00		NIST
Tboil	859.52	K	Joback Calculated Property
Tc	1095.01	K	Joback Calculated Property
Tfus	554.33	K	Joback Calculated Property
Vc	0.816	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.48; 668.14]	J/mol×K	[859.52; 1095.01]
Cp,gas	615.48	J/mol×K	859.52	Joback Calculated Property
Cp,gas	626.85	J/mol×K	898.77	Joback Calculated Property
Cp,gas	637.14	J/mol×K	938.02	Joback Calculated Property
Cp,gas	646.38	J/mol×K	977.26	Joback Calculated Property
Cp,gas	654.60	J/mol×K	1016.51	Joback Calculated Property
Cp,gas	661.84	J/mol×K	1055.76	Joback Calculated Property
Cp,gas	668.14	J/mol×K	1095.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, isobutyl 3-nitrophenyl ester.

Sources

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

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