Chemical Properties of l-Norvaline, n-butoxycarbonyl-, propyl ester

InChI

InChI=1S/C13H25NO4/c1-4-7-10-18-13(16)14-11(8-5-2)12(15)17-9-6-3/h11H,4-10H2,1-3H3,(H,14,16)

InChI Key

KKSHISLCJMFNII-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

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

Molecular Weight¹

259.34

• 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°	-322.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.06	kJ/mol	Joback Calculated Property
ΔfusH°	36.58	kJ/mol	Joback Calculated Property
ΔvapH°	68.89	kJ/mol	Joback Calculated Property
log10WS	-3.27		Crippen Calculated Property
logPoct/wat	2.635		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1806.16	kPa	Joback Calculated Property
Inp	[1597.00; 1597.00]
Inp	1597.00		NIST
Inp	1597.00		NIST
Tboil	699.15	K	Joback Calculated Property
Tc	881.01	K	Joback Calculated Property
Tfus	418.25	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.17; 705.33]	J/mol×K	[699.15; 881.01]
Cp,gas	626.17	J/mol×K	699.15	Joback Calculated Property
Cp,gas	641.27	J/mol×K	729.46	Joback Calculated Property
Cp,gas	655.61	J/mol×K	759.77	Joback Calculated Property
Cp,gas	669.18	J/mol×K	790.08	Joback Calculated Property
Cp,gas	681.98	J/mol×K	820.39	Joback Calculated Property
Cp,gas	694.03	J/mol×K	850.70	Joback Calculated Property
Cp,gas	705.33	J/mol×K	881.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, n-butoxycarbonyl-, propyl ester.

Sources

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

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