Chemical Properties of «beta»-Alanine, N-(3-methylbenzoyl)-, dodecyl ester

InChI

InChI=1S/C23H37NO3/c1-3-4-5-6-7-8-9-10-11-12-18-27-22(25)16-17-24-23(26)21-15-13-14-20(2)19-21/h13-15,19H,3-12,16-18H2,1-2H3,(H,24,26)

InChI Key

MTPYCUFRBIWRFP-UHFFFAOYSA-N

Formula

C23H37NO3

SMILES

CCCCCCCCCCCCOC(=O)CCN=C(O)c1cccc(C)c1

Molecular Weight¹

375.54

• 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	-617.59	kJ/mol	Joback Calculated Property
ΔvapH°	98.96	kJ/mol	Joback Calculated Property
log10WS	-6.56		Crippen Calculated Property
logPoct/wat	6.154		Crippen Calculated Property
McVol	330.160	ml/mol	McGowan Calculated Property
Pc	1059.64	kPa	Joback Calculated Property
Inp	[3159.00; 3159.00]
Inp	3159.00		NIST
Inp	3159.00		NIST
Tboil	1002.33	K	Joback Calculated Property
Tc	1227.67	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(3-methylbenzoyl)-, dodecyl ester.

Sources

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

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