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

InChI

InChI=1S/C17H19NO3/c1-2-12-21-16(19)10-11-18-17(20)15-9-5-7-13-6-3-4-8-14(13)15/h3-9H,2,10-12H2,1H3,(H,18,20)

InChI Key

UTPVWDZEULQEGA-UHFFFAOYSA-N

Formula

C17H19NO3

SMILES

CCCOC(=O)CCNC(=O)c1cccc2ccccc12

Molecular Weight¹

285.34

• 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°	28.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.99	kJ/mol	Joback Calculated Property
ΔfusH°	39.94	kJ/mol	Joback Calculated Property
ΔvapH°	80.35	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	2.913		Crippen Calculated Property
McVol	226.160	ml/mol	McGowan Calculated Property
Pc	2129.52	kPa	Joback Calculated Property
Inp	[2547.00; 2547.00]
Inp	2547.00		NIST
Inp	2547.00		NIST
Tboil	819.33	K	Joback Calculated Property
Tc	1039.97	K	Joback Calculated Property
Tfus	527.74	K	Joback Calculated Property
Vc	0.867	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.25; 727.46]	J/mol×K	[819.33; 1039.97]
Cp,gas	660.25	J/mol×K	819.33	Joback Calculated Property
Cp,gas	673.69	J/mol×K	856.10	Joback Calculated Property
Cp,gas	686.15	J/mol×K	892.88	Joback Calculated Property
Cp,gas	697.69	J/mol×K	929.65	Joback Calculated Property
Cp,gas	708.38	J/mol×K	966.42	Joback Calculated Property
Cp,gas	718.29	J/mol×K	1003.20	Joback Calculated Property
Cp,gas	727.46	J/mol×K	1039.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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