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

InChI

InChI=1S/C24H36F3NO3/c1-4-5-6-7-8-9-10-11-12-16-31-23(30)21(18(2)3)28-22(29)19-14-13-15-20(17-19)24(25,26)27/h13-15,17-18,21H,4-12,16H2,1-3H3,(H,28,29)

InChI Key

QEHUSJANDGIRQW-UHFFFAOYSA-N

Formula

C24H36F3NO3

SMILES

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

Molecular Weight¹

443.54

• 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°	-605.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1225.18	kJ/mol	Joback Calculated Property
ΔfusH°	55.83	kJ/mol	Joback Calculated Property
ΔvapH°	89.77	kJ/mol	Joback Calculated Property
log10WS	-7.93		Crippen Calculated Property
logPoct/wat	6.534		Crippen Calculated Property
McVol	349.560	ml/mol	McGowan Calculated Property
Pc	986.40	kPa	Joback Calculated Property
Inp	[2655.00; 2655.00]
Inp	2655.00		NIST
Inp	2655.00		NIST
Tboil	954.21	K	Joback Calculated Property
Tc	1168.26	K	Joback Calculated Property
Tfus	548.12	K	Joback Calculated Property
Vc	1.367	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1172.45; 1253.41]	J/mol×K	[954.21; 1168.26]
Cp,gas	1172.45	J/mol×K	954.21	Joback Calculated Property
Cp,gas	1188.74	J/mol×K	989.89	Joback Calculated Property
Cp,gas	1203.80	J/mol×K	1025.56	Joback Calculated Property
Cp,gas	1217.72	J/mol×K	1061.24	Joback Calculated Property
Cp,gas	1230.57	J/mol×K	1096.91	Joback Calculated Property
Cp,gas	1242.44	J/mol×K	1132.59	Joback Calculated Property
Cp,gas	1253.41	J/mol×K	1168.26	Joback Calculated Property

Similar Compounds

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

Sources

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

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