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

InChI

InChI=1S/C14H27NO4/c1-4-7-8-9-11-19-13(16)12(10-5-2)15-14(17)18-6-3/h12H,4-11H2,1-3H3,(H,15,17)

InChI Key

LDWZQYQWSCVKMU-UHFFFAOYSA-N

Formula

C14H27NO4

SMILES

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

Molecular Weight¹

273.37

• 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°	-313.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-773.70	kJ/mol	Joback Calculated Property
ΔfusH°	39.17	kJ/mol	Joback Calculated Property
ΔvapH°	71.12	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.025		Crippen Calculated Property
McVol	232.980	ml/mol	McGowan Calculated Property
Pc	1667.33	kPa	Joback Calculated Property
Inp	[1673.00; 1673.00]
Inp	1673.00		NIST
Inp	1673.00		NIST
Tboil	722.03	K	Joback Calculated Property
Tc	903.69	K	Joback Calculated Property
Tfus	429.52	K	Joback Calculated Property
Vc	0.896	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[681.45; 762.59]	J/mol×K	[722.03; 903.69]
Cp,gas	681.45	J/mol×K	722.03	Joback Calculated Property
Cp,gas	696.99	J/mol×K	752.31	Joback Calculated Property
Cp,gas	711.72	J/mol×K	782.58	Joback Calculated Property
Cp,gas	725.63	J/mol×K	812.86	Joback Calculated Property
Cp,gas	738.75	J/mol×K	843.13	Joback Calculated Property
Cp,gas	751.06	J/mol×K	873.41	Joback Calculated Property
Cp,gas	762.59	J/mol×K	903.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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