Chemical Properties of Fumaric acid, monoamide, N,N-dimethyl-, pentafluorobenzyl ester

InChI

InChI=1S/C13H10F5NO3/c1-19(2)7(20)3-4-8(21)22-5-6-9(14)11(16)13(18)12(17)10(6)15/h3-4H,5H2,1-2H3/b4-3+

InChI Key

OTWMEKIYKLFHGX-ONEGZZNKSA-N

Formula

C13H10F5NO3

SMILES

CN(C)C(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

323.22

• 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	0.7209		Relay (1.0) Calculated Property
ΔfG°	-1023.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1185.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.53	kJ/mol	Joback Calculated Property
ΔvapH°	85.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	2.070		Crippen Calculated Property
McVol	193.810	ml/mol	McGowan Calculated Property
Pc	1930.44	kPa	Joback Calculated Property
Inp	[1981.00; 1981.00]
Inp	1981.00		NIST
Inp	1981.00		NIST
Tboil	546.42	K	Relay (1.0) Calculated Property
Tc	750.28	K	Relay (1.0) Calculated Property
Tfus	384.32	K	Relay (1.0) Calculated Property
Vc	0.710	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.06; 568.51]	J/mol×K	[691.53; 873.53]
Cp,gas	513.06	J/mol×K	691.53	Joback Calculated Property
Cp,gas	523.76	J/mol×K	721.86	Joback Calculated Property
Cp,gas	533.85	J/mol×K	752.20	Joback Calculated Property
Cp,gas	543.36	J/mol×K	782.53	Joback Calculated Property
Cp,gas	552.30	J/mol×K	812.86	Joback Calculated Property
Cp,gas	560.68	J/mol×K	843.19	Joback Calculated Property
Cp,gas	568.51	J/mol×K	873.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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