Chemical Properties of L-Norvaline, N-octyloxycarbonyl-, propyl ester

InChI

InChI=1S/C17H33NO4/c1-4-7-8-9-10-11-14-22-17(20)18-15(12-5-2)16(19)21-13-6-3/h15H,4-14H2,1-3H3,(H,18,20)/t15-/m1/s1

InChI Key

JEEIFANAAJFOCD-OAHLLOKOSA-N

Formula

C17H33NO4

SMILES

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

Molecular Weight¹

315.45

• 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°	50.10	kJ/mol	Joback Calculated Property
ΔvapH°	94.38	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.58		Relay (1.0) Calculated Property
logPoct/wat	4.195		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1258.37	kPa	Joback Calculated Property
Inp	[2118.00; 2118.00]
Inp	2118.00		NIST
Inp	2118.00		NIST
Tboil	589.13	K	Relay (1.0) Calculated Property
Tc	785.63	K	Relay (1.0) Calculated Property
Tfus	285.02	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	[414.66; 950.02]	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			3.53610e+01
Coefficient B			1.59136e+00
Coefficient C			-7.63600e-04
Coefficient D			8.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.66	J/mol×K	273.00	Calculated Property
Cp,gas	506.63	J/mol×K	353.78	Calculated Property
Cp,gas	589.83	J/mol×K	434.56	Calculated Property
Cp,gas	664.55	J/mol×K	515.33	Calculated Property
Cp,gas	731.05	J/mol×K	596.11	Calculated Property
Cp,gas	789.62	J/mol×K	676.89	Calculated Property
Cp,gas	840.53	J/mol×K	757.67	Calculated Property
Cp,gas	884.05	J/mol×K	838.44	Calculated Property
Cp,gas	920.45	J/mol×K	919.22	Calculated Property
Cp,gas	950.02	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-octyloxycarbonyl-, propyl 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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