Chemical Properties of DL-2-fluorophenylglycine, N-dimethylaminomethylene-, ethyl ester

InChI

InChI=1S/C13H17FN2O2/c1-4-18-13(17)12(15-9-16(2)3)10-7-5-6-8-11(10)14/h5-9,12H,4H2,1-3H3

InChI Key

VKNHMWZXPJWSQC-UHFFFAOYSA-N

Formula

C13H17FN2O2

SMILES

CCOC(=O)C(N=CN(C)C)c1ccccc1F

Molecular Weight¹

252.28

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.5804		Relay (... Calculated Property
ΔfG°	-81.27	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-436.86	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.63	kJ/mol	Relay (... Calculated Property
IE	7.50	eV	Relay (... Calculated Property
log10WS	-2.68		Relay (... Calculated Property
logPoct/wat	2.020		Crippen Calculated Property
McVol	195.140	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Inp	[1753.00; 1753.00]
Inp	1753.00		NIST
Inp	1753.00		NIST
Tboil	582.30	K	Relay (... Calculated Property
Tc	776.60	K	Relay (... Calculated Property
Tfus	329.71	K	Relay (... Calculated Property
Vc	0.692	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to DL-2-fluorophenylglycine, N-dimethylaminomethylene-, ethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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