Chemical Properties of l-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptyl ester

InChI

InChI=1S/C20H39NO4/c1-8-9-10-11-12-13-24-18(22)17(14-16(2)3)21(7)19(23)25-15-20(4,5)6/h16-17H,8-15H2,1-7H3

InChI Key

MHFYZIPNTHADMH-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

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

Molecular Weight¹

357.53

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9147		Relay (1.0) Calculated Property
ΔfG°	-241.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1054.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.69	kJ/mol	Joback Calculated Property
ΔvapH°	91.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-4.92		Relay (1.0) Calculated Property
logPoct/wat	5.029		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1101.54	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	605.42	K	Relay (1.0) Calculated Property
Tc	779.38	K	Relay (1.0) Calculated Property
Tfus	284.68	K	Relay (1.0) Calculated Property
Vc	1.194	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1014.41; 1109.56]	J/mol×K	[817.91; 1006.82]
Cp,gas	1014.41	J/mol×K	817.91	Joback Calculated Property
Cp,gas	1032.95	J/mol×K	849.39	Joback Calculated Property
Cp,gas	1050.36	J/mol×K	880.88	Joback Calculated Property
Cp,gas	1066.69	J/mol×K	912.36	Joback Calculated Property
Cp,gas	1081.98	J/mol×K	943.85	Joback Calculated Property
Cp,gas	1096.25	J/mol×K	975.33	Joback Calculated Property
Cp,gas	1109.56	J/mol×K	1006.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Leucine, N-neopentyloxycarbonyl-N-methyl-, heptyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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