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

InChI

InChI=1S/C10H19NO4/c1-4-7-8(9(12)14-5-2)11-10(13)15-6-3/h8H,4-7H2,1-3H3,(H,11,13)

InChI Key

PCCZFHOCUANELS-UHFFFAOYSA-N

Formula

C10H19NO4

SMILES

CCCC(N=C(O)OCC)C(=O)OCC

Molecular Weight¹

217.26

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	0.8125		Relay (1.0) Calculated Property
ΔfH°gas	-872.57	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.13	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.669		Crippen Calculated Property
McVol	176.620	ml/mol	McGowan Calculated Property
Pc	2085.03	kPa	Joback Calculated Property
Inp	[1382.00; 1382.00]
Inp	1382.00		NIST
Inp	1382.00		NIST
Tboil	532.93	K	Relay (1.0) Calculated Property
Tc	715.58	K	Relay (1.0) Calculated Property
Tfus	286.90	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

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

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