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

InChI

InChI=1S/C21H34F7NO3/c1-4-6-7-8-9-10-11-12-13-14-32-17(30)16(15(3)5-2)29-18(31)19(22,23)20(24,25)21(26,27)28/h15-16H,4-14H2,1-3H3,(H,29,31)

InChI Key

GXITUHIOQGMVAA-UHFFFAOYSA-N

Formula

C21H34F7NO3

SMILES

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

Molecular Weight¹

481.49

• 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°	-1507.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-2190.26	kJ/mol	Joback Calculated Property
ΔfusH°	51.90	kJ/mol	Joback Calculated Property
ΔvapH°	74.30	kJ/mol	Joback Calculated Property
log10WS	-7.60		Crippen Calculated Property
logPoct/wat	6.424		Crippen Calculated Property
McVol	338.130	ml/mol	McGowan Calculated Property
Pc	888.94	kPa	Joback Calculated Property
Inp	[2040.00; 2040.00]
Inp	2040.00		NIST
Inp	2040.00		NIST
Tboil	844.53	K	Joback Calculated Property
Tc	1034.48	K	Joback Calculated Property
Tfus	482.57	K	Joback Calculated Property
Vc	1.357	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1117.35; 1204.78]	J/mol×K	[844.53; 1034.48]
Cp,gas	1117.35	J/mol×K	844.53	Joback Calculated Property
Cp,gas	1134.28	J/mol×K	876.19	Joback Calculated Property
Cp,gas	1150.15	J/mol×K	907.85	Joback Calculated Property
Cp,gas	1165.06	J/mol×K	939.50	Joback Calculated Property
Cp,gas	1179.08	J/mol×K	971.16	Joback Calculated Property
Cp,gas	1192.29	J/mol×K	1002.82	Joback Calculated Property
Cp,gas	1204.78	J/mol×K	1034.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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