Chemical Properties of L-2-Aminobutyric acid, N-chlorodifluoroacetyl-, ethyl ester

InChI

InChI=1S/C8H12ClF2NO3/c1-3-5(6(13)15-4-2)12-7(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)

InChI Key

SODUKRWLSIBFBU-UHFFFAOYSA-N

Formula

C8H12ClF2NO3

SMILES

CCOC(=O)C(CC)NC(=O)C(F)(F)Cl

Molecular Weight¹

243.64

• 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°	-658.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-934.35	kJ/mol	Joback Calculated Property
ΔfusH°	25.38	kJ/mol	Joback Calculated Property
ΔvapH°	56.81	kJ/mol	Joback Calculated Property
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	1.276		Crippen Calculated Property
McVol	158.350	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Inp	[1229.00; 1229.00]
Inp	1229.00		NIST
Inp	1229.00		NIST
Tboil	595.07	K	Joback Calculated Property
Tc	783.02	K	Joback Calculated Property
Tfus	373.19	K	Joback Calculated Property
Vc	0.617	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[391.66; 448.29]	J/mol×K	[595.07; 783.02]
Cp,gas	391.66	J/mol×K	595.07	Joback Calculated Property
Cp,gas	402.64	J/mol×K	626.39	Joback Calculated Property
Cp,gas	412.97	J/mol×K	657.72	Joback Calculated Property
Cp,gas	422.68	J/mol×K	689.04	Joback Calculated Property
Cp,gas	431.79	J/mol×K	720.37	Joback Calculated Property
Cp,gas	440.32	J/mol×K	751.69	Joback Calculated Property
Cp,gas	448.29	J/mol×K	783.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-2-Aminobutyric acid, N-chlorodifluoroacetyl-, ethyl ester.

Sources

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

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