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

InChI

InChI=1S/C18H23NO6/c1-3-5-8-14(4-2)13-24-17(20)11-12-18(21)25-16-10-7-6-9-15(16)19(22)23/h6-7,9-12,14H,3-5,8,13H2,1-2H3/b12-11+

InChI Key

ZKOHDLBDAJJPOZ-VAWYXSNFSA-N

Formula

C18H23NO6

SMILES

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

Molecular Weight¹

349.38

• 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°	-151.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-578.21	kJ/mol	Joback Calculated Property
ΔfusH°	49.64	kJ/mol	Joback Calculated Property
ΔvapH°	93.07	kJ/mol	Joback Calculated Property
log10WS	-5.10		Crippen Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	268.720	ml/mol	McGowan Calculated Property
Pc	1644.42	kPa	Joback Calculated Property
Inp	[2562.00; 2562.00]
Inp	2562.00		NIST
Inp	2562.00		NIST
Tboil	951.04	K	Joback Calculated Property
Tc	1179.63	K	Joback Calculated Property
Tfus	599.41	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[842.21; 898.62]	J/mol×K	[951.04; 1179.63]
Cp,gas	842.21	J/mol×K	951.04	Joback Calculated Property
Cp,gas	854.37	J/mol×K	989.14	Joback Calculated Property
Cp,gas	865.37	J/mol×K	1027.24	Joback Calculated Property
Cp,gas	875.24	J/mol×K	1065.34	Joback Calculated Property
Cp,gas	884.05	J/mol×K	1103.43	Joback Calculated Property
Cp,gas	891.82	J/mol×K	1141.53	Joback Calculated Property
Cp,gas	898.62	J/mol×K	1179.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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