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

InChI

InChI=1S/C26H46F5NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-23(33)22(21(3)5-2)32-24(34)25(27,28)26(29,30)31/h21-22H,4-20H2,1-3H3,(H,32,34)

InChI Key

PTDFUKZESFXECJ-UHFFFAOYSA-N

Formula

C26H46F5NO3

SMILES

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

Molecular Weight¹

515.64

• 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	1.1489		Relay (... Calculated Property
ΔfG°	-1078.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-2052.01	kJ/mol	Relay (... Calculated Property
ΔfusH°	66.11	kJ/mol	Joback Calculated Property
ΔvapH°	120.12	kJ/mol	Relay (... Calculated Property
IE	9.64	eV	Relay (... Calculated Property
log10WS	-8.17		Relay (... Calculated Property
logPoct/wat	8.130		Crippen Calculated Property
McVol	405.040	ml/mol	McGowan Calculated Property
Pc	706.21	kPa	Joback Calculated Property
Inp	[2595.00; 2595.00]
Inp	2595.00		NIST
Inp	2595.00		NIST
Tboil	624.33	K	Relay (... Calculated Property
Tc	777.12	K	Relay (... Calculated Property
Tfus	343.60	K	Relay (... Calculated Property
Vc	1.489	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1413.61; 1520.59]	J/mol×K	[963.62; 1195.91]
Cp,gas	1413.61	J/mol×K	963.62	Joback Calculated Property
Cp,gas	1434.72	J/mol×K	1002.34	Joback Calculated Property
Cp,gas	1454.32	J/mol×K	1041.05	Joback Calculated Property
Cp,gas	1472.57	J/mol×K	1079.77	Joback Calculated Property
Cp,gas	1489.60	J/mol×K	1118.48	Joback Calculated Property
Cp,gas	1505.56	J/mol×K	1157.20	Joback Calculated Property
Cp,gas	1520.59	J/mol×K	1195.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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