Chemical Properties of L-Valine, N-(5-fluoro-2-trifluoromethyl)-, undecyl ester

InChI

InChI=1S/C24H35F4NO3/c1-4-5-6-7-8-9-10-11-12-15-32-23(31)21(17(2)3)29-22(30)19-16-18(25)13-14-20(19)24(26,27)28/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,29,30)

InChI Key

WBNWMZMKTZIDMS-UHFFFAOYSA-N

Formula

C24H35F4NO3

SMILES

CCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)ccc1C(F)(F)F)C(C)C

Molecular Weight¹

461.53

• 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	1.0573		Relay (1.0) Calculated Property
ΔfG°	-810.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-1574.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.52	kJ/mol	Joback Calculated Property
ΔvapH°	111.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-7.24		Relay (1.0) Calculated Property
logPoct/wat	6.673		Crippen Calculated Property
McVol	351.330	ml/mol	McGowan Calculated Property
Pc	950.25	kPa	Joback Calculated Property
Inp	[2641.00; 2641.00]
Inp	2641.00		NIST
Inp	2641.00		NIST
Tboil	652.46	K	Relay (1.0) Calculated Property
Tc	866.37	K	Relay (1.0) Calculated Property
Tfus	369.24	K	Relay (1.0) Calculated Property
Vc	1.282	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1178.66; 1258.10]	J/mol×K	[958.46; 1174.15]
Cp,gas	1178.66	J/mol×K	958.46	Joback Calculated Property
Cp,gas	1194.77	J/mol×K	994.41	Joback Calculated Property
Cp,gas	1209.63	J/mol×K	1030.36	Joback Calculated Property
Cp,gas	1223.31	J/mol×K	1066.31	Joback Calculated Property
Cp,gas	1235.90	J/mol×K	1102.25	Joback Calculated Property
Cp,gas	1247.47	J/mol×K	1138.20	Joback Calculated Property
Cp,gas	1258.10	J/mol×K	1174.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(5-fluoro-2-trifluoromethyl)-, undecyl ester.

Sources

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

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