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

• 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°	-199.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1000.71	kJ/mol	Joback Calculated Property
ΔfusH°	54.64	kJ/mol	Joback Calculated Property
ΔvapH°	89.53	kJ/mol	Joback Calculated Property
log10WS	-7.19		Crippen 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	932.31	K	Joback Calculated Property
Tc	1142.50	K	Joback Calculated Property
Tfus	520.72	K	Joback Calculated Property
Vc	1.478	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.