Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 3-methylphenyl ester

InChI

InChI=1S/C13H15NO3/c1-10-5-4-6-11(9-10)17-13(16)8-7-12(15)14(2)3/h4-9H,1-3H3/b8-7+

InChI Key

MBVABSHKNPWPMR-BQYQJAHWSA-N

Formula

C13H15NO3

SMILES

Cc1cccc(OC(=O)C=CC(=O)N(C)C)c1

Molecular Weight¹

233.26

• 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	0.6670		Relay (1.0) Calculated Property
ΔfG°	-10.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-394.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.69	kJ/mol	Joback Calculated Property
ΔvapH°	82.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	1.545		Crippen Calculated Property
McVol	184.960	ml/mol	McGowan Calculated Property
Pc	2522.65	kPa	Joback Calculated Property
Inp	[2123.00; 2123.00]
Inp	2123.00		NIST
Inp	2123.00		NIST
Tboil	576.77	K	Relay (1.0) Calculated Property
Tc	799.76	K	Relay (1.0) Calculated Property
Tfus	359.90	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[477.47; 547.57]	J/mol×K	[675.26; 891.30]
Cp,gas	477.47	J/mol×K	675.26	Joback Calculated Property
Cp,gas	491.36	J/mol×K	711.27	Joback Calculated Property
Cp,gas	504.31	J/mol×K	747.27	Joback Calculated Property
Cp,gas	516.36	J/mol×K	783.28	Joback Calculated Property
Cp,gas	527.56	J/mol×K	819.29	Joback Calculated Property
Cp,gas	537.95	J/mol×K	855.29	Joback Calculated Property
Cp,gas	547.57	J/mol×K	891.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 3-methylphenyl ester.

Sources

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

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