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

InChI

InChI=1S/C29H43F6NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-39-27(38)25(21(2)3)36-26(37)23-20-22(28(30,31)32)17-18-24(23)29(33,34)35/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,36,37)

InChI Key

SQKBFHOEZFKWDV-UHFFFAOYSA-N

Formula

C29H43F6NO3

SMILES

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

Molecular Weight¹

567.65

• 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°	-1155.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-1936.93	kJ/mol	Joback Calculated Property
ΔfusH°	70.22	kJ/mol	Joback Calculated Property
ΔvapH°	97.82	kJ/mol	Joback Calculated Property
log10WS	-10.71		Crippen Calculated Property
logPoct/wat	9.113		Crippen Calculated Property
McVol	425.320	ml/mol	McGowan Calculated Property
Pc	694.35	kPa	Joback Calculated Property
Inp	[2913.00; 2913.00]
Inp	2913.00		NIST
Inp	2913.00		NIST
Tboil	1068.17	K	Joback Calculated Property
Tc	1334.08	K	Joback Calculated Property
Tfus	621.18	K	Joback Calculated Property
Vc	1.690	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1504.12; 1602.57]	J/mol×K	[1068.17; 1334.08]
Cp,gas	1504.12	J/mol×K	1068.17	Joback Calculated Property
Cp,gas	1523.58	J/mol×K	1112.49	Joback Calculated Property
Cp,gas	1541.52	J/mol×K	1156.81	Joback Calculated Property
Cp,gas	1558.17	J/mol×K	1201.13	Joback Calculated Property
Cp,gas	1573.75	J/mol×K	1245.45	Joback Calculated Property
Cp,gas	1588.47	J/mol×K	1289.76	Joback Calculated Property
Cp,gas	1602.57	J/mol×K	1334.08	Joback Calculated Property

Similar Compounds

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

Sources

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

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