Chemical Properties of «beta»-Alanine, N-(4-methylbenzoyl)-, nonyl ester

InChI

InChI=1S/C20H31NO3/c1-3-4-5-6-7-8-9-16-24-19(22)14-15-21-20(23)18-12-10-17(2)11-13-18/h10-13H,3-9,14-16H2,1-2H3,(H,21,23)

InChI Key

ZBVSEWGIZZBECM-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

CCCCCCCCCOC(=O)CCNC(=O)c1ccc(C)cc1

Molecular Weight¹

333.46

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9894		Relay (1.0) Calculated Property
ΔfG°	-53.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-678.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.69	kJ/mol	Joback Calculated Property
ΔvapH°	112.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	4.409		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1371.74	kPa	Joback Calculated Property
Inp	[2759.00; 2759.00]
Inp	2759.00		NIST
Inp	2759.00		NIST
Tboil	659.14	K	Relay (1.0) Calculated Property
Tc	876.22	K	Relay (1.0) Calculated Property
Tfus	335.32	K	Relay (1.0) Calculated Property
Vc	1.065	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[907.99; 986.96]	J/mol×K	[868.99; 1072.63]
Cp,gas	907.99	J/mol×K	868.99	Joback Calculated Property
Cp,gas	923.79	J/mol×K	902.93	Joback Calculated Property
Cp,gas	938.49	J/mol×K	936.87	Joback Calculated Property
Cp,gas	952.12	J/mol×K	970.81	Joback Calculated Property
Cp,gas	964.71	J/mol×K	1004.75	Joback Calculated Property
Cp,gas	976.31	J/mol×K	1038.69	Joback Calculated Property
Cp,gas	986.96	J/mol×K	1072.63	Joback Calculated Property

Similar Compounds

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

Sources

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

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