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

InChI

InChI=1S/C16H31NO4/c1-4-7-8-9-10-11-13-21-15(18)14(12-5-2)17-16(19)20-6-3/h14H,4-13H2,1-3H3,(H,17,19)

InChI Key

NZYSIAWANKCNSQ-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

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

Molecular Weight¹

301.42

• 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°	47.51	kJ/mol	Joback Calculated Property
ΔvapH°	94.82	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.805		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1348.67	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	579.25	K	Relay (1.0) Calculated Property
Tc	773.76	K	Relay (1.0) Calculated Property
Tfus	286.03	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.45; 898.43]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.62700e+01
Coefficient B			1.49636e+00
Coefficient C			-7.09200e-04
Coefficient D			7.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.45	J/mol×K	273.00	Calculated Property
Cp,gas	480.21	J/mol×K	353.78	Calculated Property
Cp,gas	558.75	J/mol×K	434.56	Calculated Property
Cp,gas	629.32	J/mol×K	515.33	Calculated Property
Cp,gas	692.14	J/mol×K	596.11	Calculated Property
Cp,gas	747.46	J/mol×K	676.89	Calculated Property
Cp,gas	795.51	J/mol×K	757.67	Calculated Property
Cp,gas	836.53	J/mol×K	838.44	Calculated Property
Cp,gas	870.76	J/mol×K	919.22	Calculated Property
Cp,gas	898.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

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