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

InChI

InChI=1S/C25H35F6NO3/c1-4-5-6-7-8-9-10-11-12-15-35-23(34)21(17(2)3)32-22(33)19-16-18(24(26,27)28)13-14-20(19)25(29,30)31/h13-14,16-17,21H,4-12,15H2,1-3H3,(H,32,33)

InChI Key

QCXLUXFSOLGWGQ-UHFFFAOYSA-N

Formula

C25H35F6NO3

SMILES

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

Molecular Weight¹

511.54

• 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°	-1188.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1854.37	kJ/mol	Joback Calculated Property
ΔfusH°	59.86	kJ/mol	Joback Calculated Property
ΔvapH°	88.91	kJ/mol	Joback Calculated Property
log10WS	-9.04		Crippen Calculated Property
logPoct/wat	7.553		Crippen Calculated Property
McVol	368.960	ml/mol	McGowan Calculated Property
Pc	859.48	kPa	Joback Calculated Property
Inp	[2534.00; 2534.00]
Inp	2534.00		NIST
Inp	2534.00		NIST
Tboil	976.65	K	Joback Calculated Property
Tc	1199.57	K	Joback Calculated Property
Tfus	576.10	K	Joback Calculated Property
Vc	1.466	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1253.92; 1336.36]	J/mol×K	[976.65; 1199.57]
Cp,gas	1253.92	J/mol×K	976.65	Joback Calculated Property
Cp,gas	1270.30	J/mol×K	1013.80	Joback Calculated Property
Cp,gas	1285.47	J/mol×K	1050.96	Joback Calculated Property
Cp,gas	1299.54	J/mol×K	1088.11	Joback Calculated Property
Cp,gas	1312.64	J/mol×K	1125.27	Joback Calculated Property
Cp,gas	1324.87	J/mol×K	1162.42	Joback Calculated Property
Cp,gas	1336.36	J/mol×K	1199.57	Joback Calculated Property

Similar Compounds

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

Sources

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

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