Chemical Properties of L-Norvaline, N-propoxycarbonyl-, decyl ester

InChI

InChI=1S/C19H37NO4/c1-4-7-8-9-10-11-12-13-16-23-18(21)17(14-5-2)20-19(22)24-15-6-3/h17H,4-16H2,1-3H3,(H,20,22)

InChI Key

XXPMKXPJPDFZLV-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

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

Molecular Weight¹

343.51

• 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°	55.28	kJ/mol	Joback Calculated Property
ΔvapH°	102.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	4.975		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1103.01	kPa	Joback Calculated Property
Inp	[2081.00; 2081.00]
Inp	2081.00		NIST
Inp	2081.00		NIST
Tboil	604.22	K	Relay (1.0) Calculated Property
Tc	802.67	K	Relay (1.0) Calculated Property
Tfus	293.46	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	[457.09; 1053.20]	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			3.35430e+01
Coefficient B			1.78136e+00
Coefficient C			-8.72400e-04
Coefficient D			1.10700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	457.09	J/mol×K	273.00	Calculated Property
Cp,gas	559.46	J/mol×K	353.78	Calculated Property
Cp,gas	651.98	J/mol×K	434.56	Calculated Property
Cp,gas	735.01	J/mol×K	515.33	Calculated Property
Cp,gas	808.87	J/mol×K	596.11	Calculated Property
Cp,gas	873.94	J/mol×K	676.89	Calculated Property
Cp,gas	930.56	J/mol×K	757.67	Calculated Property
Cp,gas	979.08	J/mol×K	838.44	Calculated Property
Cp,gas	1019.84	J/mol×K	919.22	Calculated Property
Cp,gas	1053.20	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-propoxycarbonyl-, decyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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