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

InChI

InChI=1S/C15H29NO4/c1-4-7-8-9-10-12-20-14(17)13(11-5-2)16-15(18)19-6-3/h13H,4-12H2,1-3H3,(H,16,18)

InChI Key

OMSGRJBLIMCAAT-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

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

Molecular Weight¹

287.40

• 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°	-305.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-794.34	kJ/mol	Joback Calculated Property
ΔfusH°	41.76	kJ/mol	Joback Calculated Property
ΔvapH°	73.34	kJ/mol	Joback Calculated Property
log10WS	-4.11		Crippen Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1543.92	kPa	Joback Calculated Property
Inp	[1752.00; 1752.00]
Inp	1752.00		NIST
Inp	1752.00		NIST
Tboil	744.91	K	Joback Calculated Property
Tc	926.88	K	Joback Calculated Property
Tfus	440.79	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.86; 820.77]	J/mol×K	[744.91; 926.88]
Cp,gas	737.86	J/mol×K	744.91	Joback Calculated Property
Cp,gas	753.81	J/mol×K	775.24	Joback Calculated Property
Cp,gas	768.89	J/mol×K	805.57	Joback Calculated Property
Cp,gas	783.13	J/mol×K	835.90	Joback Calculated Property
Cp,gas	796.51	J/mol×K	866.22	Joback Calculated Property
Cp,gas	809.06	J/mol×K	896.55	Joback Calculated Property
Cp,gas	820.77	J/mol×K	926.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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