Chemical Properties of L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester

InChI

InChI=1S/C24H33F6NO3/c1-4-5-6-7-8-9-10-11-14-34-22(33)20(16(2)3)31-21(32)18-15-17(23(25,26)27)12-13-19(18)24(28,29)30/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,31,32)

InChI Key

VVLVCXQDILIRRG-UHFFFAOYSA-N

Formula

C24H33F6NO3

SMILES

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

Molecular Weight¹

497.51

• 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).
• 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
ΔfG°	-1197.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1833.73	kJ/mol	Joback Calculated Property
ΔfusH°	57.27	kJ/mol	Joback Calculated Property
ΔvapH°	86.69	kJ/mol	Joback Calculated Property
log10WS	-8.62		Crippen Calculated Property
logPoct/wat	7.163		Crippen Calculated Property
McVol	354.870	ml/mol	McGowan Calculated Property
Pc	909.98	kPa	Joback Calculated Property
Inp	[2432.00; 2432.00]
Inp	2432.00		NIST
Inp	2432.00		NIST
Tboil	953.77	K	Joback Calculated Property
Tc	1169.19	K	Joback Calculated Property
Tfus	564.83	K	Joback Calculated Property
Vc	1.411	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1192.64; 1272.20]	J/mol×K	[953.77; 1169.19]
Cp,gas	1192.64	J/mol×K	953.77	Joback Calculated Property
Cp,gas	1208.44	J/mol×K	989.67	Joback Calculated Property
Cp,gas	1223.09	J/mol×K	1025.58	Joback Calculated Property
Cp,gas	1236.69	J/mol×K	1061.48	Joback Calculated Property
Cp,gas	1249.34	J/mol×K	1097.39	Joback Calculated Property
Cp,gas	1261.15	J/mol×K	1133.29	Joback Calculated Property
Cp,gas	1272.20	J/mol×K	1169.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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