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

InChI

InChI=1S/C16H17NO3/c1-2-20-15(18)10-11-17-16(19)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,19)

InChI Key

SLYQVPOOQAIFIQ-UHFFFAOYSA-N

Formula

C16H17NO3

SMILES

CCOC(=O)CCNC(=O)c1cccc2ccccc12

Molecular Weight¹

271.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	19.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-261.35	kJ/mol	Joback Calculated Property
ΔfusH°	37.35	kJ/mol	Joback Calculated Property
ΔvapH°	78.13	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	2.523		Crippen Calculated Property
McVol	212.070	ml/mol	McGowan Calculated Property
Pc	2331.52	kPa	Joback Calculated Property
Inp	[2448.00; 2448.00]
Inp	2448.00		NIST
Inp	2448.00		NIST
Tboil	796.45	K	Joback Calculated Property
Tc	1019.72	K	Joback Calculated Property
Tfus	516.47	K	Joback Calculated Property
Vc	0.810	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.11; 670.48]	J/mol×K	[796.45; 1019.72]
Cp,gas	605.11	J/mol×K	796.45	Joback Calculated Property
Cp,gas	618.23	J/mol×K	833.66	Joback Calculated Property
Cp,gas	630.38	J/mol×K	870.87	Joback Calculated Property
Cp,gas	641.62	J/mol×K	908.09	Joback Calculated Property
Cp,gas	652.01	J/mol×K	945.30	Joback Calculated Property
Cp,gas	661.61	J/mol×K	982.51	Joback Calculated Property
Cp,gas	670.48	J/mol×K	1019.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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