Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, hexyl ester

InChI

InChI=1S/C16H29NO3/c1-6-7-8-9-10-20-16(19)15(13(4)5)17-14(18)11-12(2)3/h11,13,15H,6-10H2,1-5H3,(H,17,18)

InChI Key

KQVAHKLHMYTIKP-UHFFFAOYSA-N

Formula

C16H29NO3

SMILES

CCCCCCOC(=O)C(NC(=O)C=C(C)C)C(C)C

Molecular Weight¹

283.41

• 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°	-122.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-580.61	kJ/mol	Joback Calculated Property
ΔfusH°	38.53	kJ/mol	Joback Calculated Property
ΔvapH°	72.81	kJ/mol	Joback Calculated Property
log10WS	-4.07		Crippen Calculated Property
logPoct/wat	3.217		Crippen Calculated Property
McVol	250.990	ml/mol	McGowan Calculated Property
Pc	1527.07	kPa	Joback Calculated Property
Inp	[1991.00; 1991.00]
Inp	1991.00		NIST
Inp	1991.00		NIST
Tboil	748.97	K	Joback Calculated Property
Tc	938.77	K	Joback Calculated Property
Tfus	395.79	K	Joback Calculated Property
Vc	0.966	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[741.53; 826.96]	J/mol×K	[748.97; 938.77]
Cp,gas	741.53	J/mol×K	748.97	Joback Calculated Property
Cp,gas	757.93	J/mol×K	780.60	Joback Calculated Property
Cp,gas	773.42	J/mol×K	812.24	Joback Calculated Property
Cp,gas	788.04	J/mol×K	843.87	Joback Calculated Property
Cp,gas	801.82	J/mol×K	875.51	Joback Calculated Property
Cp,gas	814.78	J/mol×K	907.14	Joback Calculated Property
Cp,gas	826.96	J/mol×K	938.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, hexyl ester.

Sources

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

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