Chemical Properties of L-Norvaline, N-hexyloxycarbonyl-, isobutyl ester

InChI

InChI=1S/C16H31NO4/c1-5-7-8-9-11-20-16(19)17-14(10-6-2)15(18)21-12-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)/t14-/m1/s1

InChI Key

RASRTLAPFQGSOF-CQSZACIVSA-N

Formula

C16H31NO4

SMILES

CCCCCCOC(=O)NC(CCC)C(=O)OCC(C)C

Molecular Weight¹

301.42

• 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°	-299.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.26	kJ/mol	Joback Calculated Property
ΔfusH°	40.82	kJ/mol	Joback Calculated Property
ΔvapH°	75.18	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	3.661		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1442.44	kPa	Joback Calculated Property
Inp	[1978.00; 1978.00]
Inp	1978.00		NIST
Inp	1978.00		NIST
Tboil	767.35	K	Joback Calculated Property
Tc	951.81	K	Joback Calculated Property
Tfus	437.06	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.83; 880.90]	J/mol×K	[767.35; 951.81]
Cp,gas	795.83	J/mol×K	767.35	Joback Calculated Property
Cp,gas	812.32	J/mol×K	798.09	Joback Calculated Property
Cp,gas	827.87	J/mol×K	828.84	Joback Calculated Property
Cp,gas	842.49	J/mol×K	859.58	Joback Calculated Property
Cp,gas	856.20	J/mol×K	890.33	Joback Calculated Property
Cp,gas	869.00	J/mol×K	921.07	Joback Calculated Property
Cp,gas	880.90	J/mol×K	951.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-hexyloxycarbonyl-, isobutyl ester.

Sources

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

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