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

InChI

InChI=1S/C28H41F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-38-26(37)24(20(2)3)35-25(36)22-19-21(27(29,30)31)16-17-23(22)28(32,33)34/h16-17,19-20,24H,4-15,18H2,1-3H3,(H,35,36)

InChI Key

KLGHBCSQONRHHD-UHFFFAOYSA-N

Formula

C28H41F6NO3

SMILES

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

Molecular Weight¹

553.62

• 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°	-1163.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1916.29	kJ/mol	Joback Calculated Property
ΔfusH°	67.63	kJ/mol	Joback Calculated Property
ΔvapH°	95.59	kJ/mol	Joback Calculated Property
log10WS	-10.29		Crippen Calculated Property
logPoct/wat	8.723		Crippen Calculated Property
McVol	411.230	ml/mol	McGowan Calculated Property
Pc	730.86	kPa	Joback Calculated Property
Inp	[2810.00; 2810.00]
Inp	2810.00		NIST
Inp	2810.00		NIST
Tboil	1045.29	K	Joback Calculated Property
Tc	1298.30	K	Joback Calculated Property
Tfus	609.91	K	Joback Calculated Property
Vc	1.635	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1440.86; 1534.45]	J/mol×K	[1045.29; 1298.30]
Cp,gas	1440.86	J/mol×K	1045.29	Joback Calculated Property
Cp,gas	1459.42	J/mol×K	1087.46	Joback Calculated Property
Cp,gas	1476.54	J/mol×K	1129.63	Joback Calculated Property
Cp,gas	1492.43	J/mol×K	1171.80	Joback Calculated Property
Cp,gas	1507.25	J/mol×K	1213.96	Joback Calculated Property
Cp,gas	1521.20	J/mol×K	1256.13	Joback Calculated Property
Cp,gas	1534.45	J/mol×K	1298.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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