Chemical Properties of «beta»-Alanine, N-(1-naphthoyl)-, octyl ester

InChI

InChI=1S/C22H29NO3/c1-2-3-4-5-6-9-17-26-21(24)15-16-23-22(25)20-14-10-12-18-11-7-8-13-19(18)20/h7-8,10-14H,2-6,9,15-17H2,1H3,(H,23,25)

InChI Key

YMABQZKZJPTCBJ-UHFFFAOYSA-N

Formula

C22H29NO3

SMILES

CCCCCCCCOC(=O)CCN=C(O)c1cccc2ccccc12

Molecular Weight¹

355.47

• 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	-405.88	kJ/mol	Joback Calculated Property
ΔvapH°	98.37	kJ/mol	Joback Calculated Property
log10WS	-6.21		Crippen Calculated Property
logPoct/wat	5.438		Crippen Calculated Property
McVol	296.610	ml/mol	McGowan Calculated Property
Pc	1340.78	kPa	Joback Calculated Property
Inp	[3213.00; 3213.00]
Inp	3213.00		NIST
Inp	3213.00		NIST
Tboil	998.43	K	Joback Calculated Property
Tc	1223.88	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(1-naphthoyl)-, octyl ester.

Sources

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

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