Chemical Properties of l-Norvaline, N-allyloxycarbonyl-, isobutyl ester

InChI

InChI=1S/C13H23NO4/c1-5-7-11(12(15)18-9-10(3)4)14-13(16)17-8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3,(H,14,16)

InChI Key

AMQSWXUBQPWHII-UHFFFAOYSA-N

Formula

C13H23NO4

SMILES

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

Molecular Weight¹

257.33

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7302		Relay (1.0) Calculated Property
ΔfG°	-236.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.77	kJ/mol	Joback Calculated Property
ΔvapH°	76.87	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-2.92		Relay (1.0) Calculated Property
logPoct/wat	2.267		Crippen Calculated Property
McVol	214.590	ml/mol	McGowan Calculated Property
Pc	1885.44	kPa	Joback Calculated Property
Inp	[1558.00; 1558.00]
Inp	1558.00		NIST
Inp	1558.00		NIST
Tboil	560.60	K	Relay (1.0) Calculated Property
Tc	736.02	K	Relay (1.0) Calculated Property
Tfus	279.81	K	Relay (1.0) Calculated Property
Vc	0.762	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[602.83; 679.87]	J/mol×K	[695.39; 882.01]
Cp,gas	602.83	J/mol×K	695.39	Joback Calculated Property
Cp,gas	617.62	J/mol×K	726.49	Joback Calculated Property
Cp,gas	631.62	J/mol×K	757.60	Joback Calculated Property
Cp,gas	644.84	J/mol×K	788.70	Joback Calculated Property
Cp,gas	657.28	J/mol×K	819.80	Joback Calculated Property
Cp,gas	668.96	J/mol×K	850.91	Joback Calculated Property
Cp,gas	679.87	J/mol×K	882.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-allyloxycarbonyl-, isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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