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

InChI

InChI=1S/C25H49NO4/c1-8-9-10-11-12-13-14-15-16-17-18-29-23(27)22(19-21(2)3)26(7)24(28)30-20-25(4,5)6/h21-22H,8-20H2,1-7H3

InChI Key

LROMTVODLFAPTH-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

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

Molecular Weight¹

427.66

• 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	1.0946		Relay (1.0) Calculated Property
ΔfG°	-199.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1153.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.64	kJ/mol	Joback Calculated Property
ΔvapH°	111.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-6.53		Relay (1.0) Calculated Property
logPoct/wat	6.980		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	819.60	kPa	Joback Calculated Property
Inp	[2574.00; 2574.00]
Inp	2574.00		NIST
Inp	2574.00		NIST
Tboil	642.34	K	Relay (1.0) Calculated Property
Tc	822.89	K	Relay (1.0) Calculated Property
Tfus	300.82	K	Relay (1.0) Calculated Property
Vc	1.471	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1326.59; 1428.59]	J/mol×K	[932.31; 1142.50]
Cp,gas	1326.59	J/mol×K	932.31	Joback Calculated Property
Cp,gas	1347.00	J/mol×K	967.34	Joback Calculated Property
Cp,gas	1365.95	J/mol×K	1002.37	Joback Calculated Property
Cp,gas	1383.52	J/mol×K	1037.40	Joback Calculated Property
Cp,gas	1399.77	J/mol×K	1072.44	Joback Calculated Property
Cp,gas	1414.77	J/mol×K	1107.47	Joback Calculated Property
Cp,gas	1428.59	J/mol×K	1142.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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