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

InChI

InChI=1S/C12H23NO4/c1-5-7-10(13-12(15)16-6-2)11(14)17-8-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)

InChI Key

BSTWGVGTAXSPHD-UHFFFAOYSA-N

Formula

C12H23NO4

SMILES

CCCC(NC(=O)OCC)C(=O)OCC(C)C

Molecular Weight¹

245.32

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-934.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.46	kJ/mol	Joback Calculated Property
ΔvapH°	76.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
logPoct/wat	2.100		Crippen Calculated Property
McVol	204.800	ml/mol	McGowan Calculated Property
Pc	1977.07	kPa	Joback Calculated Property
Inp	[1483.00; 1483.00]
Inp	1483.00		NIST
Inp	1483.00		NIST
Tboil	542.00	K	Relay (1.0) Calculated Property
Tc	714.69	K	Relay (1.0) Calculated Property
Tfus	282.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.60; 650.54]	J/mol×K	[675.83; 861.03]
Cp,gas	572.60	J/mol×K	675.83	Joback Calculated Property
Cp,gas	587.47	J/mol×K	706.70	Joback Calculated Property
Cp,gas	601.58	J/mol×K	737.56	Joback Calculated Property
Cp,gas	614.95	J/mol×K	768.43	Joback Calculated Property
Cp,gas	627.56	J/mol×K	799.30	Joback Calculated Property
Cp,gas	639.42	J/mol×K	830.16	Joback Calculated Property
Cp,gas	650.54	J/mol×K	861.03	Joback Calculated Property

Similar Compounds

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