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

InChI

InChI=1S/C19H23NO3/c1-2-3-6-14-23-18(21)12-13-20-19(22)17-11-7-9-15-8-4-5-10-16(15)17/h4-5,7-11H,2-3,6,12-14H2,1H3,(H,20,22)

InChI Key

RULLWQMUNZCPFX-UHFFFAOYSA-N

Formula

C19H23NO3

SMILES

CCCCCOC(=O)CCN=C(O)c1cccc2ccccc12

Molecular Weight¹

313.39

• 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	-343.96	kJ/mol	Joback Calculated Property
ΔvapH°	91.69	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	4.268		Crippen Calculated Property
McVol	254.340	ml/mol	McGowan Calculated Property
Pc	1675.53	kPa	Joback Calculated Property
Inp	[2756.00; 2756.00]
Inp	2756.00		NIST
Inp	2756.00		NIST
Tboil	929.79	K	Joback Calculated Property
Tc	1149.37	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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