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

InChI

InChI=1S/C30H45F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-40-28(39)26(22(2)3)37-27(38)24-21-23(29(31,32)33)18-19-25(24)30(34,35)36/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,37,38)

InChI Key

XOVFPYVKOAZFEQ-UHFFFAOYSA-N

Formula

C30H45F6NO3

SMILES

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

Molecular Weight¹

581.67

• 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°	-1146.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1957.57	kJ/mol	Joback Calculated Property
ΔfusH°	72.81	kJ/mol	Joback Calculated Property
ΔvapH°	100.04	kJ/mol	Joback Calculated Property
log10WS	-11.13		Crippen Calculated Property
logPoct/wat	9.503		Crippen Calculated Property
McVol	439.410	ml/mol	McGowan Calculated Property
Pc	660.51	kPa	Joback Calculated Property
Inp	[3024.00; 3024.00]
Inp	3024.00		NIST
Inp	3024.00		NIST
Tboil	1091.05	K	Joback Calculated Property
Tc	1371.49	K	Joback Calculated Property
Tfus	632.45	K	Joback Calculated Property
Vc	1.746	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1567.81; 1671.89]	J/mol×K	[1091.05; 1371.49]
Cp,gas	1567.81	J/mol×K	1091.05	Joback Calculated Property
Cp,gas	1588.28	J/mol×K	1137.79	Joback Calculated Property
Cp,gas	1607.14	J/mol×K	1184.53	Joback Calculated Property
Cp,gas	1624.67	J/mol×K	1231.27	Joback Calculated Property
Cp,gas	1641.13	J/mol×K	1278.01	Joback Calculated Property
Cp,gas	1656.78	J/mol×K	1324.75	Joback Calculated Property
Cp,gas	1671.89	J/mol×K	1371.49	Joback Calculated Property

Similar Compounds

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

Sources

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

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