Chemical Properties of L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, octyl ester

InChI

InChI=1S/C25H41NO5/c1-5-6-7-8-9-13-16-30-24(27)23(19-21(2)3)26(4)25(28)31-18-17-29-20-22-14-11-10-12-15-22/h10-12,14-15,21,23H,5-9,13,16-20H2,1-4H3/t23-/m1/s1

InChI Key

XDAAPJLMJDIPTG-HSZRJFAPSA-N

Formula

C25H41NO5

SMILES

CCCCCCCCOC(=O)C(CC(C)C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

435.60

• 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°	-194.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-887.65	kJ/mol	Joback Calculated Property
ΔfusH°	57.28	kJ/mol	Joback Calculated Property
ΔvapH°	95.51	kJ/mol	Joback Calculated Property
log10WS	-6.12		Crippen Calculated Property
logPoct/wat	5.590		Crippen Calculated Property
McVol	370.080	ml/mol	McGowan Calculated Property
Pc	977.78	kPa	Joback Calculated Property
Inp	[2809.00; 2809.00]
Inp	2809.00		NIST
Inp	2809.00		NIST
Tboil	984.64	K	Joback Calculated Property
Tc	1205.73	K	Joback Calculated Property
Tfus	566.95	K	Joback Calculated Property
Vc	1.399	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1256.08; 1332.13]	J/mol×K	[984.64; 1205.73]
Cp,gas	1256.08	J/mol×K	984.64	Joback Calculated Property
Cp,gas	1272.72	J/mol×K	1021.49	Joback Calculated Property
Cp,gas	1287.71	J/mol×K	1058.34	Joback Calculated Property
Cp,gas	1301.09	J/mol×K	1095.19	Joback Calculated Property
Cp,gas	1312.92	J/mol×K	1132.04	Joback Calculated Property
Cp,gas	1323.25	J/mol×K	1168.88	Joback Calculated Property
Cp,gas	1332.13	J/mol×K	1205.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(2-(benzyloxy)ethoxycarbonyl)-, octyl ester.

Sources

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

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