Chemical Properties of l-Leucine, N-isobutoxycarbonyl-N-methyl-, propyl ester

InChI

InChI=1S/C15H29NO4/c1-7-8-19-14(17)13(9-11(2)3)16(6)15(18)20-10-12(4)5/h11-13H,7-10H2,1-6H3

InChI Key

XDDHAEQAZYGRQX-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

CCCOC(=O)C(CC(C)C)N(C)C(=O)OCC(C)C

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°	-288.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-790.84	kJ/mol	Joback Calculated Property
ΔfusH°	32.63	kJ/mol	Joback Calculated Property
ΔvapH°	68.17	kJ/mol	Joback Calculated Property
log10WS	-3.00		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1545.13	kPa	Joback Calculated Property
Inp	[1699.00; 1699.00]
Inp	1699.00		NIST
Inp	1699.00		NIST
Tboil	706.30	K	Joback Calculated Property
Tc	888.08	K	Joback Calculated Property
Tfus	390.60	K	Joback Calculated Property
Vc	0.923	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.52; 808.30]	J/mol×K	[706.30; 888.08]
Cp,gas	719.52	J/mol×K	706.30	Joback Calculated Property
Cp,gas	736.51	J/mol×K	736.60	Joback Calculated Property
Cp,gas	752.61	J/mol×K	766.89	Joback Calculated Property
Cp,gas	767.83	J/mol×K	797.19	Joback Calculated Property
Cp,gas	782.17	J/mol×K	827.48	Joback Calculated Property
Cp,gas	795.66	J/mol×K	857.78	Joback Calculated Property
Cp,gas	808.30	J/mol×K	888.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-isobutoxycarbonyl-N-methyl-, propyl ester.

Sources

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

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