Chemical Properties of L-Ornithine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C16H30N2O6/c1-6-22-15(20)17-10-8-9-13(18-16(21)23-7-2)14(19)24-12(5)11(3)4/h11-13H,6-10H2,1-5H3,(H,17,20)(H,18,21)/t12-,13?/m1/s1

InChI Key

PKDJRCOUQAURDP-PZORYLMUSA-N

Formula

C16H30N2O6

SMILES

CCOC(=O)NCCCC(NC(=O)OCC)C(=O)OC(C)C(C)C

Molecular Weight¹

346.42

• 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	0.9434		Relay (1.0) Calculated Property
ΔfG°	-446.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-1337.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.19	kJ/mol	Joback Calculated Property
ΔvapH°	103.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-2.75		Relay (1.0) Calculated Property
logPoct/wat	2.215		Crippen Calculated Property
McVol	278.580	ml/mol	McGowan Calculated Property
Pc	1518.75	kPa	Joback Calculated Property
Inp	[2281.70; 2281.70]
Inp	2281.70		NIST
Inp	2281.70		NIST
Tboil	602.28	K	Relay (1.0) Calculated Property
Tc	808.28	K	Relay (1.0) Calculated Property
Tfus	315.74	K	Relay (1.0) Calculated Property
Vc	1.013	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[903.14; 967.91]	J/mol×K	[893.37; 1096.44]
Cp,gas	903.14	J/mol×K	893.37	Joback Calculated Property
Cp,gas	917.05	J/mol×K	927.22	Joback Calculated Property
Cp,gas	929.71	J/mol×K	961.06	Joback Calculated Property
Cp,gas	941.12	J/mol×K	994.91	Joback Calculated Property
Cp,gas	951.30	J/mol×K	1028.75	Joback Calculated Property
Cp,gas	960.22	J/mol×K	1062.60	Joback Calculated Property
Cp,gas	967.91	J/mol×K	1096.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Ornithine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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

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