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

InChI

InChI=1S/C27H46F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-38-23(36)22(21(3)5-2)35-24(37)25(28,29)26(30,31)27(32,33)34/h21-22H,4-20H2,1-3H3,(H,35,37)

InChI Key

PEIJALRGLVZUNZ-UHFFFAOYSA-N

Formula

C27H46F7NO3

SMILES

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

Molecular Weight¹

565.65

• 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°	-1457.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-2314.10	kJ/mol	Joback Calculated Property
ΔfusH°	67.44	kJ/mol	Joback Calculated Property
ΔvapH°	87.65	kJ/mol	Joback Calculated Property
log10WS	-10.11		Crippen Calculated Property
logPoct/wat	8.765		Crippen Calculated Property
McVol	422.670	ml/mol	McGowan Calculated Property
Pc	647.46	kPa	Joback Calculated Property
Inp	[2602.00; 2602.00]
Inp	2602.00		NIST
Inp	2602.00		NIST
Tboil	981.81	K	Joback Calculated Property
Tc	1229.03	K	Joback Calculated Property
Tfus	550.19	K	Joback Calculated Property
Vc	1.694	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1490.72; 1605.12]	J/mol×K	[981.81; 1229.03]
Cp,gas	1490.72	J/mol×K	981.81	Joback Calculated Property
Cp,gas	1512.84	J/mol×K	1023.01	Joback Calculated Property
Cp,gas	1533.46	J/mol×K	1064.22	Joback Calculated Property
Cp,gas	1552.79	J/mol×K	1105.42	Joback Calculated Property
Cp,gas	1571.03	J/mol×K	1146.62	Joback Calculated Property
Cp,gas	1588.41	J/mol×K	1187.83	Joback Calculated Property
Cp,gas	1605.12	J/mol×K	1229.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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