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

InChI

InChI=1S/C16H26F5NO3/c1-4-6-7-8-9-10-25-13(23)12(11(3)5-2)22-14(24)15(17,18)16(19,20)21/h11-12H,4-10H2,1-3H3,(H,22,24)

InChI Key

JOXLPJIXSVEXKP-UHFFFAOYSA-N

Formula

C16H26F5NO3

SMILES

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

Molecular Weight¹

375.37

• 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	0.7835		Relay (... Calculated Property
ΔfG°	-1162.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-1855.79	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.21	kJ/mol	Joback Calculated Property
ΔvapH°	80.46	kJ/mol	Relay (... Calculated Property
IE	9.47	eV	Relay (... Calculated Property
log10WS	-5.30		Relay (... Calculated Property
logPoct/wat	4.228		Crippen Calculated Property
McVol	264.140	ml/mol	McGowan Calculated Property
Pc	1272.78	kPa	Joback Calculated Property
Inp	[1646.00; 1646.00]
Inp	1646.00		NIST
Inp	1646.00		NIST
Tboil	530.48	K	Relay (... Calculated Property
Tc	680.69	K	Relay (... Calculated Property
Tfus	310.24	K	Relay (... Calculated Property
Vc	0.952	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[808.18; 886.09]	J/mol×K	[734.82; 907.45]
Cp,gas	808.18	J/mol×K	734.82	Joback Calculated Property
Cp,gas	823.18	J/mol×K	763.59	Joback Calculated Property
Cp,gas	837.32	J/mol×K	792.36	Joback Calculated Property
Cp,gas	850.64	J/mol×K	821.13	Joback Calculated Property
Cp,gas	863.18	J/mol×K	849.90	Joback Calculated Property
Cp,gas	874.98	J/mol×K	878.68	Joback Calculated Property
Cp,gas	886.09	J/mol×K	907.45	Joback Calculated Property

Similar Compounds

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

Sources

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

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