Chemical Properties of D-Alanine, N-butoxycarbonyl-, tridecyl ester

InChI

InChI=1S/C21H41NO4/c1-4-6-8-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22-21(24)26-17-7-5-2/h19H,4-18H2,1-3H3,(H,22,24)

InChI Key

WTNHRUBZHZLDSY-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCCCC

Molecular Weight¹

371.55

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-938.87	kJ/mol	Joback Calculated Property
ΔvapH°	93.59	kJ/mol	Joback Calculated Property
log10WS	-6.15		Crippen Calculated Property
logPoct/wat	5.960		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	973.52	kPa	Joback Calculated Property
Inp	[2515.00; 2515.00]
Inp	2515.00		NIST
Inp	2515.00		NIST
Tboil	946.89	K	Joback Calculated Property
Tc	1161.84	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-butoxycarbonyl-, 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.