Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, 3,5-difluorophenyl ester

InChI

InChI=1S/C12H11F2NO3/c1-15(2)11(16)3-4-12(17)18-10-6-8(13)5-9(14)7-10/h3-7H,1-2H3/b4-3+

InChI Key

YQVPTQXBHROYMX-ONEGZZNKSA-N

Formula

C12H11F2NO3

SMILES

CN(C)C(=O)C=CC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

255.22

Other Names

• Fumaric acid, monoamide, N,N-dimethyl-, 3,5-fluorophenyl ester

• 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	0.6694		Relay (1.0) Calculated Property
ΔfG°	-418.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-757.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.87	kJ/mol	Joback Calculated Property
ΔvapH°	80.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	1.515		Crippen Calculated Property
McVol	174.410	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	Joback Calculated Property
Inp	[1911.00; 1911.00]
Inp	1911.00		NIST
Inp	1911.00		NIST
Tboil	543.84	K	Relay (1.0) Calculated Property
Tc	769.80	K	Relay (1.0) Calculated Property
Tfus	369.09	K	Relay (1.0) Calculated Property
Vc	0.635	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.02; 502.88]	J/mol×K	[655.90; 858.15]
Cp,gas	442.02	J/mol×K	655.90	Joback Calculated Property
Cp,gas	453.98	J/mol×K	689.61	Joback Calculated Property
Cp,gas	465.17	J/mol×K	723.32	Joback Calculated Property
Cp,gas	475.63	J/mol×K	757.02	Joback Calculated Property
Cp,gas	485.38	J/mol×K	790.73	Joback Calculated Property
Cp,gas	494.45	J/mol×K	824.44	Joback Calculated Property
Cp,gas	502.88	J/mol×K	858.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N,N-dimethyl-, 3,5-difluorophenyl ester.

Sources

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

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