Chemical Properties of l-Norvaline, N-ethoxycarbonyl-, octyl ester

InChI

InChI=1S/C16H31NO4/c1-4-7-8-9-10-11-13-21-15(18)14(12-5-2)17-16(19)20-6-3/h14H,4-13H2,1-3H3,(H,17,19)

InChI Key

NZYSIAWANKCNSQ-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

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

Molecular Weight¹

301.42

• 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	0.9035		Relay (... Calculated Property
ΔfG°	-297.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-992.61	kJ/mol	Relay (... Calculated Property
ΔfusH°	44.35	kJ/mol	Joback Calculated Property
ΔvapH°	93.60	kJ/mol	Relay (... Calculated Property
IE	8.93	eV	Relay (... Calculated Property
log10WS	-4.32		Relay (... Calculated Property
logPoct/wat	3.805		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	579.25	K	Relay (... Calculated Property
Tc	769.33	K	Relay (... Calculated Property
Tfus	289.34	K	Relay (... Calculated Property
Vc	0.979	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.32; 879.84]	J/mol×K	[767.79; 950.65]
Cp,gas	795.32	J/mol×K	767.79	Joback Calculated Property
Cp,gas	811.65	J/mol×K	798.27	Joback Calculated Property
Cp,gas	827.08	J/mol×K	828.74	Joback Calculated Property
Cp,gas	841.60	J/mol×K	859.22	Joback Calculated Property
Cp,gas	855.22	J/mol×K	889.70	Joback Calculated Property
Cp,gas	867.97	J/mol×K	920.17	Joback Calculated Property
Cp,gas	879.84	J/mol×K	950.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-ethoxycarbonyl-, octyl ester.

Sources

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

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