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

InChI

InChI=1S/C26H37F6NO3/c1-4-5-6-7-8-9-10-11-12-13-16-36-24(35)22(18(2)3)33-23(34)20-17-19(25(27,28)29)14-15-21(20)26(30,31)32/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,33,34)

InChI Key

MTWXOSIINWAGKO-UHFFFAOYSA-N

Formula

C26H37F6NO3

SMILES

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

Molecular Weight¹

525.57

• 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°	-1180.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1875.01	kJ/mol	Joback Calculated Property
ΔfusH°	62.45	kJ/mol	Joback Calculated Property
ΔvapH°	91.14	kJ/mol	Joback Calculated Property
log10WS	-9.45		Crippen Calculated Property
logPoct/wat	7.943		Crippen Calculated Property
McVol	383.050	ml/mol	McGowan Calculated Property
Pc	813.07	kPa	Joback Calculated Property
Inp	[2634.00; 2634.00]
Inp	2634.00		NIST
Inp	2634.00		NIST
Tboil	999.53	K	Joback Calculated Property
Tc	1231.15	K	Joback Calculated Property
Tfus	587.37	K	Joback Calculated Property
Vc	1.522	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1315.74; 1401.43]	J/mol×K	[999.53; 1231.15]
Cp,gas	1315.74	J/mol×K	999.53	Joback Calculated Property
Cp,gas	1332.76	J/mol×K	1038.13	Joback Calculated Property
Cp,gas	1348.51	J/mol×K	1076.74	Joback Calculated Property
Cp,gas	1363.12	J/mol×K	1115.34	Joback Calculated Property
Cp,gas	1376.72	J/mol×K	1153.95	Joback Calculated Property
Cp,gas	1389.44	J/mol×K	1192.55	Joback Calculated Property
Cp,gas	1401.43	J/mol×K	1231.15	Joback Calculated Property

Similar Compounds

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

Sources

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

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