Chemical Properties of L-Norvaline, N-ethoxycarbonyl-, butyl ester

InChI

InChI=1S/C12H23NO4/c1-4-7-9-17-11(14)10(8-5-2)13-12(15)16-6-3/h10H,4-9H2,1-3H3,(H,13,15)

InChI Key

XLGKISXNVJDRID-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

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

Molecular Weight¹

245.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.7598		Relay (1.0) Calculated Property
ΔfH°gas	-918.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.99	kJ/mol	Joback Calculated Property
ΔvapH°	80.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-2.83		Relay (1.0) Calculated Property
logPoct/wat	2.244		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1527.00; 1527.00]
Inp	1527.00		NIST
Inp	1527.00		NIST
Tboil	544.07	K	Relay (1.0) Calculated Property
Tc	725.20	K	Relay (1.0) Calculated Property
Tfus	269.31	K	Relay (1.0) Calculated Property
Vc	0.761	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.12; 649.03]	J/mol×K	[676.27; 858.80]
Cp,gas	572.12	J/mol×K	676.27	Joback Calculated Property
Cp,gas	586.74	J/mol×K	706.69	Joback Calculated Property
Cp,gas	600.64	J/mol×K	737.11	Joback Calculated Property
Cp,gas	613.82	J/mol×K	767.53	Joback Calculated Property
Cp,gas	626.27	J/mol×K	797.95	Joback Calculated Property
Cp,gas	638.01	J/mol×K	828.38	Joback Calculated Property
Cp,gas	649.03	J/mol×K	858.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-ethoxycarbonyl-, butyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.