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

InChI

InChI=1S/C23H45NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-28-22(25)21(19-5-2)24-23(26)27-6-3/h21H,4-20H2,1-3H3,(H,24,26)

InChI Key

DLXLBKPGMVDBNG-UHFFFAOYSA-N

Formula

C23H45NO4

SMILES

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

Molecular Weight¹

399.61

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	62.48	kJ/mol	Joback Calculated Property
ΔvapH°	121.77	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	6.536		Crippen Calculated Property
McVol	359.790	ml/mol	McGowan Calculated Property
Pc	911.08	kPa	Joback Calculated Property
Inp	[2424.00; 2424.00]
Inp	2424.00		NIST
Inp	2424.00		NIST
Tboil	628.98	K	Relay (1.0) Calculated Property
Tc	829.47	K	Relay (1.0) Calculated Property
Tfus	320.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[1220.46; 1314.31]	J/mol×K	[927.95; 1137.94]
Cp,gas	1220.46	J/mol×K	927.95	Joback Calculated Property
Cp,gas	1239.66	J/mol×K	962.95	Joback Calculated Property
Cp,gas	1257.39	J/mol×K	997.95	Joback Calculated Property
Cp,gas	1273.68	J/mol×K	1032.94	Joback Calculated Property
Cp,gas	1288.57	J/mol×K	1067.94	Joback Calculated Property
Cp,gas	1302.11	J/mol×K	1102.94	Joback Calculated Property
Cp,gas	1314.31	J/mol×K	1137.94	Joback Calculated Property

Similar Compounds

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