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

InChI

InChI=1S/C26H40F3NO3/c1-4-5-6-7-8-9-10-11-12-13-14-18-33-25(32)23(20(2)3)30-24(31)21-16-15-17-22(19-21)26(27,28)29/h15-17,19-20,23H,4-14,18H2,1-3H3,(H,30,31)

InChI Key

ZHYWZHHBWGYEPW-UHFFFAOYSA-N

Formula

C26H40F3NO3

SMILES

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

Molecular Weight¹

471.60

• 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°	-589.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1266.46	kJ/mol	Joback Calculated Property
ΔfusH°	61.01	kJ/mol	Joback Calculated Property
ΔvapH°	94.22	kJ/mol	Joback Calculated Property
log10WS	-8.77		Crippen Calculated Property
logPoct/wat	7.314		Crippen Calculated Property
McVol	377.740	ml/mol	McGowan Calculated Property
Pc	877.39	kPa	Joback Calculated Property
Inp	[2841.00; 2841.00]
Inp	2841.00		NIST
Inp	2841.00		NIST
Tboil	999.97	K	Joback Calculated Property
Tc	1227.03	K	Joback Calculated Property
Tfus	570.66	K	Joback Calculated Property
Vc	1.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1296.30; 1381.23]	J/mol×K	[999.97; 1227.03]
Cp,gas	1296.30	J/mol×K	999.97	Joback Calculated Property
Cp,gas	1313.49	J/mol×K	1037.81	Joback Calculated Property
Cp,gas	1329.33	J/mol×K	1075.66	Joback Calculated Property
Cp,gas	1343.91	J/mol×K	1113.50	Joback Calculated Property
Cp,gas	1357.36	J/mol×K	1151.35	Joback Calculated Property
Cp,gas	1369.76	J/mol×K	1189.19	Joback Calculated Property
Cp,gas	1381.23	J/mol×K	1227.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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