Chemical Properties of l-Valine, n-pentafluoropropionyl-, undecyl ester

InChI

InChI=1S/C19H32F5NO3/c1-4-5-6-7-8-9-10-11-12-13-28-16(26)15(14(2)3)25-17(27)18(20,21)19(22,23)24/h14-15H,4-13H2,1-3H3,(H,25,27)

InChI Key

KBSKAAMVBRAHSU-UHFFFAOYSA-N

Formula

C19H32F5NO3

SMILES

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

Molecular Weight¹

417.45

• 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	0.9072		Relay (1.0) Calculated Property
ΔfG°	-1137.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-1912.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.98	kJ/mol	Joback Calculated Property
ΔvapH°	93.56	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-6.33		Relay (1.0) Calculated Property
logPoct/wat	5.399		Crippen Calculated Property
McVol	306.410	ml/mol	McGowan Calculated Property
Pc	1046.65	kPa	Joback Calculated Property
Inp	[1951.00; 1951.00]
Inp	1951.00		NIST
Inp	1951.00		NIST
Tboil	558.22	K	Relay (1.0) Calculated Property
Tc	713.33	K	Relay (1.0) Calculated Property
Tfus	341.02	K	Relay (1.0) Calculated Property
Vc	1.125	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[981.98; 1066.48]	J/mol×K	[803.46; 984.55]
Cp,gas	981.98	J/mol×K	803.46	Joback Calculated Property
Cp,gas	998.31	J/mol×K	833.64	Joback Calculated Property
Cp,gas	1013.67	J/mol×K	863.82	Joback Calculated Property
Cp,gas	1028.12	J/mol×K	894.01	Joback Calculated Property
Cp,gas	1041.70	J/mol×K	924.19	Joback Calculated Property
Cp,gas	1054.47	J/mol×K	954.37	Joback Calculated Property
Cp,gas	1066.48	J/mol×K	984.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-pentafluoropropionyl-, undecyl ester.

Sources

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

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