Chemical Properties of Fumaric acid, 2-nitrophenyl cyclohexylmethyl ester

InChI

InChI=1S/C17H19NO6/c19-16(23-12-13-6-2-1-3-7-13)10-11-17(20)24-15-9-5-4-8-14(15)18(21)22/h4-5,8-11,13H,1-3,6-7,12H2/b11-10+

InChI Key

QEJAUIYGUWHNKR-ZHACJKMWSA-N

Formula

C17H19NO6

SMILES

O=C(C=CC(=O)Oc1ccccc1[N+](=O)[O-])OCC1CCCCC1

Molecular Weight¹

333.34

• 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°	-132.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.97	kJ/mol	Joback Calculated Property
ΔfusH°	42.41	kJ/mol	Joback Calculated Property
ΔvapH°	91.66	kJ/mol	Joback Calculated Property
log10WS	-4.57		Crippen Calculated Property
logPoct/wat	3.180		Crippen Calculated Property
McVol	243.770	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	948.15	K	Joback Calculated Property
Tc	1198.80	K	Joback Calculated Property
Tfus	610.52	K	Joback Calculated Property
Vc	0.922	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[775.72; 827.30]	J/mol×K	[948.15; 1198.80]
Cp,gas	775.72	J/mol×K	948.15	Joback Calculated Property
Cp,gas	787.87	J/mol×K	989.92	Joback Calculated Property
Cp,gas	798.52	J/mol×K	1031.70	Joback Calculated Property
Cp,gas	807.72	J/mol×K	1073.47	Joback Calculated Property
Cp,gas	815.55	J/mol×K	1115.25	Joback Calculated Property
Cp,gas	822.05	J/mol×K	1157.02	Joback Calculated Property
Cp,gas	827.30	J/mol×K	1198.80	Joback Calculated Property

Similar Compounds

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

Sources

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

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