Chemical Properties of L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, pentadecyl ester

InChI

InChI=1S/C28H45F2NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-28(33)26(21(2)3)31-27(32)24-23(29)19-18-22(4)25(24)30/h18-19,21,26H,5-17,20H2,1-4H3,(H,31,32)

InChI Key

WTWYBAMYQJHPAL-UHFFFAOYSA-N

Formula

C28H45F2NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)ccc(C)c1F)C(C)C

Molecular Weight¹

481.66

• 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°	-399.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1125.82	kJ/mol	Joback Calculated Property
ΔfusH°	69.75	kJ/mol	Joback Calculated Property
ΔvapH°	102.11	kJ/mol	Joback Calculated Property
log10WS	-9.64		Crippen Calculated Property
logPoct/wat	7.662		Crippen Calculated Property
McVol	404.150	ml/mol	McGowan Calculated Property
Pc	783.75	kPa	Joback Calculated Property
Inp	[3307.00; 3307.00]
Inp	3307.00		NIST
Inp	3307.00		NIST
Tboil	1059.65	K	Joback Calculated Property
Tc	1310.13	K	Joback Calculated Property
Tfus	615.23	K	Joback Calculated Property
Vc	1.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1413.96; 1495.26]	J/mol×K	[1059.65; 1310.13]
Cp,gas	1413.96	J/mol×K	1059.65	Joback Calculated Property
Cp,gas	1431.89	J/mol×K	1101.40	Joback Calculated Property
Cp,gas	1447.94	J/mol×K	1143.14	Joback Calculated Property
Cp,gas	1462.21	J/mol×K	1184.89	Joback Calculated Property
Cp,gas	1474.79	J/mol×K	1226.64	Joback Calculated Property
Cp,gas	1485.77	J/mol×K	1268.38	Joback Calculated Property
Cp,gas	1495.26	J/mol×K	1310.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, pentadecyl ester.

Sources

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

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