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).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-484.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	126.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	4.268		Crippen Calculated Property
McVol	254.340	ml/mol	McGowan Calculated Property
Pc	1620.68	kPa	Joback Calculated Property
Inp	[2756.00; 2756.00]
Inp	2756.00		NIST
Inp	2756.00		NIST
Tboil	684.35	K	Relay (1.0) Calculated Property
Tc	947.34	K	Relay (1.0) Calculated Property
Tfus	377.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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