Chemical Properties of L-Valine, N-(3-trifluoromethylbenzoyl)-, decyl ester

InChI

InChI=1S/C23H34F3NO3/c1-4-5-6-7-8-9-10-11-15-30-22(29)20(17(2)3)27-21(28)18-13-12-14-19(16-18)23(24,25)26/h12-14,16-17,20H,4-11,15H2,1-3H3,(H,27,28)

InChI Key

JRJUSQVCSOKCOD-UHFFFAOYSA-N

Formula

C23H34F3NO3

SMILES

CCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)C(C)C

Molecular Weight¹

429.52

• 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	1.0038		Relay (1.0) Calculated Property
ΔfG°	-614.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1365.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.24	kJ/mol	Joback Calculated Property
ΔvapH°	108.73	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	6.144		Crippen Calculated Property
McVol	335.470	ml/mol	McGowan Calculated Property
Pc	1048.69	kPa	Joback Calculated Property
Inp	[2559.00; 2559.00]
Inp	2559.00		NIST
Inp	2559.00		NIST
Tboil	646.09	K	Relay (1.0) Calculated Property
Tc	868.76	K	Relay (1.0) Calculated Property
Tfus	365.65	K	Relay (1.0) Calculated Property
Vc	1.217	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1111.33; 1190.61]	J/mol×K	[931.33; 1140.47]
Cp,gas	1111.33	J/mol×K	931.33	Joback Calculated Property
Cp,gas	1127.23	J/mol×K	966.19	Joback Calculated Property
Cp,gas	1141.96	J/mol×K	1001.04	Joback Calculated Property
Cp,gas	1155.59	J/mol×K	1035.90	Joback Calculated Property
Cp,gas	1168.19	J/mol×K	1070.75	Joback Calculated Property
Cp,gas	1179.84	J/mol×K	1105.61	Joback Calculated Property
Cp,gas	1190.61	J/mol×K	1140.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-trifluoromethylbenzoyl)-, decyl ester.

Sources

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

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