Chemical Properties of Fumaric acid, 2-nitrophenyl 2,3-dichlorophenyl ester

InChI

InChI=1S/C16H9Cl2NO6/c17-10-4-3-7-13(16(10)18)25-15(21)9-8-14(20)24-12-6-2-1-5-11(12)19(22)23/h1-9H/b9-8+

InChI Key

XACSXBHSFQCUCT-CMDGGOBGSA-N

Formula

C16H9Cl2NO6

SMILES

O=C(C=CC(=O)Oc1cccc(Cl)c1Cl)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

382.15

• 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°	-96.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-349.54	kJ/mol	Joback Calculated Property
ΔfusH°	49.64	kJ/mol	Joback Calculated Property
ΔvapH°	101.38	kJ/mol	Joback Calculated Property
log10WS	-5.62		Crippen Calculated Property
logPoct/wat	3.969		Crippen Calculated Property
McVol	241.260	ml/mol	McGowan Calculated Property
Pc	2367.97	kPa	Joback Calculated Property
Inp	[2925.00; 2925.00]
Inp	2925.00		NIST
Inp	2925.00		NIST
Tboil	1017.22	K	Joback Calculated Property
Tc	1282.35	K	Joback Calculated Property
Tfus	703.17	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[648.75; 672.65]	J/mol×K	[1017.22; 1282.35]
Cp,gas	648.75	J/mol×K	1017.22	Joback Calculated Property
Cp,gas	655.38	J/mol×K	1061.41	Joback Calculated Property
Cp,gas	660.88	J/mol×K	1105.60	Joback Calculated Property
Cp,gas	665.30	J/mol×K	1149.79	Joback Calculated Property
Cp,gas	668.69	J/mol×K	1193.98	Joback Calculated Property
Cp,gas	671.12	J/mol×K	1238.17	Joback Calculated Property
Cp,gas	672.65	J/mol×K	1282.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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