Chemical Properties of D-Alanine, N-neopentyloxycarbonyl-, pentadecyl ester

InChI

InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-22(26)21(2)25-23(27)29-20-24(3,4)5/h21H,6-20H2,1-5H3,(H,25,27)

InChI Key

ZWVVXVIBCRAKBN-UHFFFAOYSA-N

Formula

C24H47NO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCC(C)(C)C

Molecular Weight¹

413.63

• 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
ΔvapH°	129.08	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.50		Relay (1.0) Calculated Property
logPoct/wat	6.986		Crippen Calculated Property
McVol	373.880	ml/mol	McGowan Calculated Property
Inp	[2703.00; 2703.00]
Inp	2703.00		NIST
Inp	2703.00		NIST
Tboil	633.80	K	Relay (1.0) Calculated Property
Tfus	348.20	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.

Similar Compounds

Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, 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.
These property values are available through the Cheméo API. A free account gives you an access key.