Chemical Properties of l-Norvaline, N-allyloxycarbonyl-, undecyl ester

InChI

InChI=1S/C20H37NO4/c1-4-7-8-9-10-11-12-13-14-17-24-19(22)18(15-5-2)21-20(23)25-16-6-3/h6,18H,3-5,7-17H2,1-2H3,(H,21,23)

InChI Key

NATQURDTERXJCY-UHFFFAOYSA-N

Formula

C20H37NO4

SMILES

C=CCOC(=O)NC(CCC)C(=O)OCCCCCCCCCCC

Molecular Weight¹

355.51

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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°	56.59	kJ/mol	Joback Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.141		Crippen Calculated Property
McVol	313.220	ml/mol	McGowan Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	628.89	K	Relay (1.0) Calculated Property
Tfus	293.60	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[468.49; 1076.28]	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			2.96430e+01
Coefficient B			1.85634e+00
Coefficient C			-9.49700e-04
Coefficient D			1.40000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	468.49	J/mol×K	273.00	Calculated Property
Cp,gas	573.71	J/mol×K	353.78	Calculated Property
Cp,gas	668.47	J/mol×K	434.56	Calculated Property
Cp,gas	753.23	J/mol×K	515.33	Calculated Property
Cp,gas	828.41	J/mol×K	596.11	Calculated Property
Cp,gas	894.47	J/mol×K	676.89	Calculated Property
Cp,gas	951.84	J/mol×K	757.67	Calculated Property
Cp,gas	1000.97	J/mol×K	838.44	Calculated Property
Cp,gas	1042.30	J/mol×K	919.22	Calculated Property
Cp,gas	1076.28	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-allyloxycarbonyl-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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