Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, pentadecyl ester

InChI

InChI=1S/C24H43NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-28-23(26)22(3)25(4)24(27)29-20-8-6-2/h2,22H,5,7-21H2,1,3-4H3

InChI Key

DBTGMITXJGIYSC-UHFFFAOYSA-N

Formula

C24H43NO4

SMILES

C#CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

409.61

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	69.13	kJ/mol	Joback Calculated Property
ΔvapH°	123.54	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.01		Relay (1.0) Calculated Property
logPoct/wat	6.101		Crippen Calculated Property
McVol	365.280	ml/mol	McGowan Calculated Property
Inp	[2703.00; 2703.00]
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	663.24	K	Relay (1.0) Calculated Property
Tfus	317.38	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1184.83; 1280.22]	J/mol×K	[867.28; 1061.81]
Cp,gas	1184.83	J/mol×K	867.28	Joback Calculated Property
Cp,gas	1203.86	J/mol×K	899.70	Joback Calculated Property
Cp,gas	1221.57	J/mol×K	932.12	Joback Calculated Property
Cp,gas	1238.02	J/mol×K	964.55	Joback Calculated Property
Cp,gas	1253.25	J/mol×K	996.97	Joback Calculated Property
Cp,gas	1267.31	J/mol×K	1029.39	Joback Calculated Property
Cp,gas	1280.22	J/mol×K	1061.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, pentadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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