Chemical Properties of DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, tridecyl ester

InChI

InChI=1S/C27H45NO5/c1-4-5-6-7-8-9-10-11-12-13-17-20-32-26(29)24(2)28(3)27(30)33-22-21-31-23-25-18-15-14-16-19-25/h14-16,18-19,24H,4-13,17,20-23H2,1-3H3

InChI Key

OJZZVKJDHYTLQJ-UHFFFAOYSA-N

Formula

C27H45NO5

SMILES

CCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCOCc1ccccc1

Molecular Weight¹

463.65

• 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°	-175.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-923.65	kJ/mol	Joback Calculated Property
ΔfusH°	65.99	kJ/mol	Joback Calculated Property
ΔvapH°	100.35	kJ/mol	Joback Calculated Property
log10WS	-7.19		Crippen Calculated Property
logPoct/wat	6.514		Crippen Calculated Property
McVol	398.260	ml/mol	McGowan Calculated Property
Pc	866.07	kPa	Joback Calculated Property
Inp	[3184.00; 3184.00]
Inp	3184.00		NIST
Inp	3184.00		NIST
Tboil	1030.84	K	Joback Calculated Property
Tc	1267.31	K	Joback Calculated Property
Tfus	604.49	K	Joback Calculated Property
Vc	1.518	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1380.70; 1456.87]	J/mol×K	[1030.84; 1267.31]
Cp,gas	1380.70	J/mol×K	1030.84	Joback Calculated Property
Cp,gas	1397.91	J/mol×K	1070.25	Joback Calculated Property
Cp,gas	1413.22	J/mol×K	1109.66	Joback Calculated Property
Cp,gas	1426.70	J/mol×K	1149.08	Joback Calculated Property
Cp,gas	1438.43	J/mol×K	1188.49	Joback Calculated Property
Cp,gas	1448.46	J/mol×K	1227.90	Joback Calculated Property
Cp,gas	1456.87	J/mol×K	1267.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(2-benzyloxyethoxycarbonyl)-, tridecyl 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.