Chemical Properties of Fumaric acid, 2-nitrophenyl 3-methylbut-2-yl ester

InChI

InChI=1S/C15H17NO6/c1-10(2)11(3)21-14(17)8-9-15(18)22-13-7-5-4-6-12(13)16(19)20/h4-11H,1-3H3/b9-8+

InChI Key

YAAUBFYQDKQPFN-CMDGGOBGSA-N

Formula

C15H17NO6

SMILES

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

Molecular Weight¹

307.30

• 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°	-178.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-521.57	kJ/mol	Joback Calculated Property
ΔfusH°	38.35	kJ/mol	Joback Calculated Property
ΔvapH°	86.01	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	2.644		Crippen Calculated Property
McVol	226.450	ml/mol	McGowan Calculated Property
Pc	2123.64	kPa	Joback Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	881.96	K	Joback Calculated Property
Tc	1117.89	K	Joback Calculated Property
Tfus	550.60	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[671.55; 725.55]	J/mol×K	[881.96; 1117.89]
Cp,gas	671.55	J/mol×K	881.96	Joback Calculated Property
Cp,gas	683.29	J/mol×K	921.28	Joback Calculated Property
Cp,gas	693.89	J/mol×K	960.60	Joback Calculated Property
Cp,gas	703.37	J/mol×K	999.92	Joback Calculated Property
Cp,gas	711.79	J/mol×K	1039.25	Joback Calculated Property
Cp,gas	719.17	J/mol×K	1078.57	Joback Calculated Property
Cp,gas	725.55	J/mol×K	1117.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-nitrophenyl 3-methylbut-2-yl ester.

Sources

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

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