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

InChI

InChI=1S/C18H35NO4/c1-4-6-8-9-10-11-12-13-15-22-17(20)16(3)19-18(21)23-14-7-5-2/h16H,4-15H2,1-3H3,(H,19,21)

InChI Key

ASRYTBCXTNSWSI-UHFFFAOYSA-N

Formula

C18H35NO4

SMILES

CCCCCCCCCCOC(=O)C(C)N=C(O)OCCCC

Molecular Weight¹

329.47

• 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	-876.95	kJ/mol	Joback Calculated Property
ΔvapH°	86.91	kJ/mol	Joback Calculated Property
log10WS	-4.90		Crippen Calculated Property
logPoct/wat	4.790		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Pc	1175.24	kPa	Joback Calculated Property
Inp	[2222.00; 2222.00]
Inp	2222.00		NIST
Inp	2222.00		NIST
Tboil	878.25	K	Joback Calculated Property
Tc	1075.49	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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