Chemical Properties of l-Isoleucine, n-heptafluorobutyryl-, ethyl ester

InChI

InChI=1S/C12H16F7NO3/c1-4-6(3)7(8(21)23-5-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h6-7H,4-5H2,1-3H3,(H,20,22)

InChI Key

FXOBMWXZJDHCEN-UHFFFAOYSA-N

Formula

C12H16F7NO3

SMILES

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

Molecular Weight¹

355.25

• 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°	-1583.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-2004.50	kJ/mol	Joback Calculated Property
ΔfusH°	28.59	kJ/mol	Joback Calculated Property
ΔvapH°	54.26	kJ/mol	Joback Calculated Property
log10WS	-3.83		Crippen Calculated Property
logPoct/wat	2.913		Crippen Calculated Property
McVol	211.320	ml/mol	McGowan Calculated Property
Pc	1612.88	kPa	Joback Calculated Property
Inp	[1250.00; 1250.00]
Inp	1250.00		NIST
Inp	1250.00		NIST
Tboil	638.61	K	Joback Calculated Property
Tc	803.83	K	Joback Calculated Property
Tfus	381.14	K	Joback Calculated Property
Vc	0.854	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[609.87; 675.55]	J/mol×K	[638.61; 803.83]
Cp,gas	609.87	J/mol×K	638.61	Joback Calculated Property
Cp,gas	622.65	J/mol×K	666.15	Joback Calculated Property
Cp,gas	634.65	J/mol×K	693.68	Joback Calculated Property
Cp,gas	645.89	J/mol×K	721.22	Joback Calculated Property
Cp,gas	656.43	J/mol×K	748.76	Joback Calculated Property
Cp,gas	666.30	J/mol×K	776.30	Joback Calculated Property
Cp,gas	675.55	J/mol×K	803.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Isoleucine, n-heptafluorobutyryl-, ethyl ester.

Sources

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

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