Chemical Properties of «beta»-Alanine, N-(4-methoxybenzoyl)-, propyl ester

InChI

InChI=1S/C14H19NO4/c1-3-10-19-13(16)8-9-15-14(17)11-4-6-12(18-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17)

InChI Key

QKUFGIYKIOUVNE-UHFFFAOYSA-N

Formula

C14H19NO4

SMILES

CCCOC(=O)CCNC(=O)c1ccc(OC)cc1

Molecular Weight¹

265.31

• 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°	-208.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-543.36	kJ/mol	Joback Calculated Property
ΔfusH°	36.34	kJ/mol	Joback Calculated Property
ΔvapH°	74.44	kJ/mol	Joback Calculated Property
log10WS	-2.89		Crippen Calculated Property
logPoct/wat	1.768		Crippen Calculated Property
McVol	209.220	ml/mol	McGowan Calculated Property
Pc	2181.56	kPa	Joback Calculated Property
Inp	[2293.00; 2293.00]
Inp	2293.00		NIST
Inp	2293.00		NIST
Tboil	754.13	K	Joback Calculated Property
Tc	960.61	K	Joback Calculated Property
Tfus	483.46	K	Joback Calculated Property
Vc	0.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.81; 662.58]	J/mol×K	[754.13; 960.61]
Cp,gas	593.81	J/mol×K	754.13	Joback Calculated Property
Cp,gas	607.61	J/mol×K	788.54	Joback Calculated Property
Cp,gas	620.46	J/mol×K	822.96	Joback Calculated Property
Cp,gas	632.37	J/mol×K	857.37	Joback Calculated Property
Cp,gas	643.35	J/mol×K	891.79	Joback Calculated Property
Cp,gas	653.42	J/mol×K	926.20	Joback Calculated Property
Cp,gas	662.58	J/mol×K	960.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(4-methoxybenzoyl)-, propyl ester.

Sources

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

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