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

InChI

InChI=1S/C28H48F7NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-39-24(37)23(22(3)5-2)36-25(38)26(29,30)27(31,32)28(33,34)35/h22-23H,4-21H2,1-3H3,(H,36,38)

InChI Key

QNJIISAOUXOCTE-UHFFFAOYSA-N

Formula

C28H48F7NO3

SMILES

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

Molecular Weight¹

579.67

• 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	1.2245		Relay (... Calculated Property
ΔfG°	-1448.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-2480.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	70.03	kJ/mol	Joback Calculated Property
ΔvapH°	127.10	kJ/mol	Relay (... Calculated Property
IE	9.70	eV	Relay (... Calculated Property
log10WS	-8.99		Relay (... Calculated Property
logPoct/wat	9.155		Crippen Calculated Property
McVol	436.760	ml/mol	McGowan Calculated Property
Pc	616.95	kPa	Joback Calculated Property
Inp	[2704.00; 2704.00]
Inp	2704.00		NIST
Inp	2704.00		NIST
Tboil	643.56	K	Relay (... Calculated Property
Tc	781.44	K	Relay (... Calculated Property
Tfus	333.90	K	Relay (... Calculated Property
Vc	1.610	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1554.90; 1676.16]	J/mol×K	[1004.69; 1266.27]
Cp,gas	1554.90	J/mol×K	1004.69	Joback Calculated Property
Cp,gas	1578.26	J/mol×K	1048.29	Joback Calculated Property
Cp,gas	1600.02	J/mol×K	1091.88	Joback Calculated Property
Cp,gas	1620.44	J/mol×K	1135.48	Joback Calculated Property
Cp,gas	1639.76	J/mol×K	1179.07	Joback Calculated Property
Cp,gas	1658.25	J/mol×K	1222.67	Joback Calculated Property
Cp,gas	1676.16	J/mol×K	1266.27	Joback Calculated Property

Similar Compounds

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

Sources

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

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