Chemical Properties of D-Alanine, N-ethoxycarbonyl-, tetradecyl ester

InChI

InChI=1S/C20H39NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-25-19(22)18(3)21-20(23)24-5-2/h18H,4-17H2,1-3H3,(H,21,23)

InChI Key

BHAAAYBCUSJXMR-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCC

Molecular Weight¹

357.53

• 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	-918.23	kJ/mol	Joback Calculated Property
ΔvapH°	91.36	kJ/mol	Joback Calculated Property
log10WS	-5.73		Crippen Calculated Property
logPoct/wat	5.570		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1034.57	kPa	Joback Calculated Property
Inp	[2427.00; 2427.00]
Inp	2427.00		NIST
Inp	2427.00		NIST
Tboil	924.01	K	Joback Calculated Property
Tc	1132.03	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-ethoxycarbonyl-, tetradecyl ester.

Sources

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

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