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_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).
• 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
ΔfH°gas	-1127.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.62	kJ/mol	Joback Calculated Property
ΔvapH°	68.73	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.912		Crippen Calculated Property
McVol	186.530	ml/mol	McGowan Calculated Property
Pc	2086.93	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	680.39	K	Relay (1.0) Calculated Property
Tfus	312.57	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.23; 550.75]	J/mol×K	[622.52; 807.68]
Cp,gas	485.23	J/mol×K	622.52	Joback Calculated Property
Cp,gas	498.00	J/mol×K	653.38	Joback Calculated Property
Cp,gas	509.99	J/mol×K	684.24	Joback Calculated Property
Cp,gas	521.24	J/mol×K	715.10	Joback Calculated Property
Cp,gas	531.77	J/mol×K	745.96	Joback Calculated Property
Cp,gas	541.59	J/mol×K	776.82	Joback Calculated Property
Cp,gas	550.75	J/mol×K	807.68	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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