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

InChI

InChI=1S/C22H43NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-26-21(24)20(3)23-22(25)27-18-7-5-2/h20H,4-19H2,1-3H3,(H,23,25)

InChI Key

DPXWFOXCQHXVGM-UHFFFAOYSA-N

Formula

C22H43NO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(C)N=C(O)OCCCC

Molecular Weight¹

385.58

• 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	-959.51	kJ/mol	Joback Calculated Property
ΔvapH°	95.82	kJ/mol	Joback Calculated Property
log10WS	-6.57		Crippen Calculated Property
logPoct/wat	6.350		Crippen Calculated Property
McVol	345.700	ml/mol	McGowan Calculated Property
Pc	917.72	kPa	Joback Calculated Property
Inp	[2612.00; 2612.00]
Inp	2612.00		NIST
Inp	2612.00		NIST
Tboil	969.77	K	Joback Calculated Property
Tc	1192.79	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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