Chemical Properties of L-Isoleucine, N-chlorodifluoroacetyl-, ethyl ester

InChI

InChI=1S/C10H16ClF2NO3/c1-4-6(3)7(8(15)17-5-2)14-9(16)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,16)

InChI Key

DGWDUKMYXDNFQI-UHFFFAOYSA-N

Formula

C10H16ClF2NO3

SMILES

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

Molecular Weight¹

271.69

• 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	0.5248		Relay (1.0) Calculated Property
ΔfG°	-643.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1127.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.04	kJ/mol	Joback Calculated Property
ΔvapH°	67.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-2.96		Relay (1.0) Calculated Property
logPoct/wat	1.912		Crippen Calculated Property
McVol	186.530	ml/mol	McGowan Calculated Property
Pc	2167.36	kPa	Joback Calculated Property
Inp	[1351.00; 1351.00]
Inp	1351.00		NIST
Inp	1351.00		NIST
Tboil	493.26	K	Relay (1.0) Calculated Property
Tc	676.10	K	Relay (1.0) Calculated Property
Tfus	317.34	K	Relay (1.0) Calculated Property
Vc	0.651	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[489.48; 553.92]	J/mol×K	[640.39; 827.82]
Cp,gas	489.48	J/mol×K	640.39	Joback Calculated Property
Cp,gas	501.98	J/mol×K	671.63	Joback Calculated Property
Cp,gas	513.74	J/mol×K	702.87	Joback Calculated Property
Cp,gas	524.79	J/mol×K	734.11	Joback Calculated Property
Cp,gas	535.15	J/mol×K	765.34	Joback Calculated Property
Cp,gas	544.85	J/mol×K	796.58	Joback Calculated Property
Cp,gas	553.92	J/mol×K	827.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Isoleucine, N-chlorodifluoroacetyl-, ethyl ester.

Sources

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

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