Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 2,6-dichlorophenyl ester

InChI

InChI=1S/C12H11Cl2NO3/c1-15(2)10(16)6-7-11(17)18-12-8(13)4-3-5-9(12)14/h3-7H,1-2H3/b7-6+

InChI Key

IDKXXNKHJUIKRA-VOTSOKGWSA-N

Formula

C12H11Cl2NO3

SMILES

CN(C)C(=O)C=CC(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

288.13

• 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	0.6732		Relay (1.0) Calculated Property
ΔfG°	-52.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-409.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.10	kJ/mol	Joback Calculated Property
ΔvapH°	90.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	2.543		Crippen Calculated Property
McVol	195.350	ml/mol	McGowan Calculated Property
Pc	2540.49	kPa	Joback Calculated Property
Inp	[2305.00; 2305.00]
Inp	2305.00		NIST
Inp	2305.00		NIST
Tboil	565.45	K	Relay (1.0) Calculated Property
Tc	841.29	K	Relay (1.0) Calculated Property
Tfus	405.96	K	Relay (1.0) Calculated Property
Vc	0.691	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[472.66; 527.12]	J/mol×K	[732.22; 958.69]
Cp,gas	472.66	J/mol×K	732.22	Joback Calculated Property
Cp,gas	483.71	J/mol×K	769.97	Joback Calculated Property
Cp,gas	493.92	J/mol×K	807.71	Joback Calculated Property
Cp,gas	503.32	J/mol×K	845.46	Joback Calculated Property
Cp,gas	511.95	J/mol×K	883.20	Joback Calculated Property
Cp,gas	519.87	J/mol×K	920.95	Joback Calculated Property
Cp,gas	527.12	J/mol×K	958.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 2,6-dichlorophenyl ester.

Sources

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

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