Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 3,4-dimethylphenyl ester

InChI

InChI=1S/C14H17NO3/c1-10-5-6-12(9-11(10)2)18-14(17)8-7-13(16)15(3)4/h5-9H,1-4H3/b8-7+

InChI Key

HWVRSALFSZGLDI-BQYQJAHWSA-N

Formula

C14H17NO3

SMILES

Cc1ccc(OC(=O)C=CC(=O)N(C)C)cc1C

Molecular Weight¹

247.29

• 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°	-11.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-291.33	kJ/mol	Joback Calculated Property
ΔfusH°	32.89	kJ/mol	Joback Calculated Property
ΔvapH°	68.26	kJ/mol	Joback Calculated Property
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	1.853		Crippen Calculated Property
McVol	199.050	ml/mol	McGowan Calculated Property
Pc	2263.26	kPa	Joback Calculated Property
Inp	[2286.00; 2286.00]
Inp	2286.00		NIST
Inp	2286.00		NIST
Tboil	703.12	K	Joback Calculated Property
Tc	916.68	K	Joback Calculated Property
Tfus	448.48	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.39; 600.48]	J/mol×K	[703.12; 916.68]
Cp,gas	528.39	J/mol×K	703.12	Joback Calculated Property
Cp,gas	542.60	J/mol×K	738.71	Joback Calculated Property
Cp,gas	555.87	J/mol×K	774.31	Joback Calculated Property
Cp,gas	568.26	J/mol×K	809.90	Joback Calculated Property
Cp,gas	579.80	J/mol×K	845.49	Joback Calculated Property
Cp,gas	590.52	J/mol×K	881.08	Joback Calculated Property
Cp,gas	600.48	J/mol×K	916.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 3,4-dimethylphenyl ester.

Sources

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

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