Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 2-chlorophenyl ester

InChI

InChI=1S/C12H12ClNO3/c1-14(2)11(15)7-8-12(16)17-10-6-4-3-5-9(10)13/h3-8H,1-2H3/b8-7+

InChI Key

CLDAKBPYGNKFGA-BQYQJAHWSA-N

Formula

C12H12ClNO3

SMILES

CN(C)C(=O)C=CC(=O)Oc1ccccc1Cl

Molecular Weight¹

253.68

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6414		Relay (1.0) Calculated Property
ΔfG°	-30.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-402.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.29	kJ/mol	Joback Calculated Property
ΔvapH°	85.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-2.83		Relay (1.0) Calculated Property
logPoct/wat	1.890		Crippen Calculated Property
McVol	183.110	ml/mol	McGowan Calculated Property
Pc	2679.08	kPa	Joback Calculated Property
Inp	[2171.00; 2171.00]
Inp	2171.00		NIST
Inp	2171.00		NIST
Tboil	567.41	K	Relay (1.0) Calculated Property
Tc	819.27	K	Relay (1.0) Calculated Property
Tfus	383.37	K	Relay (1.0) Calculated Property
Vc	0.652	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[451.37; 512.33]	J/mol×K	[689.81; 912.63]
Cp,gas	451.37	J/mol×K	689.81	Joback Calculated Property
Cp,gas	463.63	J/mol×K	726.95	Joback Calculated Property
Cp,gas	474.99	J/mol×K	764.08	Joback Calculated Property
Cp,gas	485.49	J/mol×K	801.22	Joback Calculated Property
Cp,gas	495.19	J/mol×K	838.36	Joback Calculated Property
Cp,gas	504.12	J/mol×K	875.50	Joback Calculated Property
Cp,gas	512.33	J/mol×K	912.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 2-chlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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