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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-175.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-772.11	kJ/mol	Joback Calculated Property
ΔfusH°	53.43	kJ/mol	Joback Calculated Property
ΔvapH°	83.80	kJ/mol	Joback Calculated Property
log10WS	-6.05		Crippen Calculated Property
logPoct/wat	5.141		Crippen Calculated Property
McVol	313.220	ml/mol	McGowan Calculated Property
Pc	1123.81	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	855.99	K	Joback Calculated Property
Tc	1049.04	K	Joback Calculated Property
Tfus	495.38	K	Joback Calculated Property
Vc	1.214	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1006.16; 1093.73]	J/mol×K	[855.99; 1049.04]
Cp,gas	1006.16	J/mol×K	855.99	Joback Calculated Property
Cp,gas	1023.48	J/mol×K	888.17	Joback Calculated Property
Cp,gas	1039.68	J/mol×K	920.34	Joback Calculated Property
Cp,gas	1054.77	J/mol×K	952.52	Joback Calculated Property
Cp,gas	1068.80	J/mol×K	984.69	Joback Calculated Property
Cp,gas	1081.78	J/mol×K	1016.87	Joback Calculated Property
Cp,gas	1093.73	J/mol×K	1049.04	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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