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

InChI

InChI=1S/C12H12FNO3/c1-14(2)11(15)7-8-12(16)17-10-6-4-3-5-9(10)13/h3-8H,1-2H3/b8-7+

InChI Key

STDKFTNIWCWYIR-BQYQJAHWSA-N

Formula

C12H12FNO3

SMILES

CN(C)C(=O)C=CC(=O)Oc1ccccc1F

Molecular Weight¹

237.23

• 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	0.6262		Relay (1.0) Calculated Property
ΔfG°	-213.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-567.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.18	kJ/mol	Joback Calculated Property
ΔvapH°	81.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	1.375		Crippen Calculated Property
McVol	172.640	ml/mol	McGowan Calculated Property
Pc	2657.03	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	549.20	K	Relay (1.0) Calculated Property
Tc	780.57	K	Relay (1.0) Calculated Property
Tfus	372.07	K	Relay (1.0) Calculated Property
Vc	0.621	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.99; 499.22]	J/mol×K	[651.65; 861.81]
Cp,gas	434.99	J/mol×K	651.65	Joback Calculated Property
Cp,gas	447.71	J/mol×K	686.68	Joback Calculated Property
Cp,gas	459.57	J/mol×K	721.70	Joback Calculated Property
Cp,gas	470.61	J/mol×K	756.73	Joback Calculated Property
Cp,gas	480.87	J/mol×K	791.76	Joback Calculated Property
Cp,gas	490.40	J/mol×K	826.78	Joback Calculated Property
Cp,gas	499.22	J/mol×K	861.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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