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

InChI

InChI=1S/C19H28ClNO3/c1-2-3-4-5-6-7-8-15-24-18(22)13-14-21-19(23)16-9-11-17(20)12-10-16/h9-12H,2-8,13-15H2,1H3,(H,21,23)

InChI Key

LZFACYYJLOZBFV-UHFFFAOYSA-N

Formula

C19H28ClNO3

SMILES

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

Molecular Weight¹

353.88

• 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°	-73.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.08	kJ/mol	Joback Calculated Property
ΔfusH°	52.30	kJ/mol	Joback Calculated Property
ΔvapH°	87.55	kJ/mol	Joback Calculated Property
log10WS	-5.97		Crippen Calculated Property
logPoct/wat	4.754		Crippen Calculated Property
McVol	286.040	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[2825.00; 2825.00]
Inp	2825.00		NIST
Inp	2825.00		NIST
Tboil	883.54	K	Joback Calculated Property
Tc	1091.40	K	Joback Calculated Property
Tfus	547.50	K	Joback Calculated Property
Vc	1.105	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[875.30; 946.70]	J/mol×K	[883.54; 1091.40]
Cp,gas	875.30	J/mol×K	883.54	Joback Calculated Property
Cp,gas	889.75	J/mol×K	918.18	Joback Calculated Property
Cp,gas	903.13	J/mol×K	952.83	Joback Calculated Property
Cp,gas	915.47	J/mol×K	987.47	Joback Calculated Property
Cp,gas	926.82	J/mol×K	1022.11	Joback Calculated Property
Cp,gas	937.22	J/mol×K	1056.76	Joback Calculated Property
Cp,gas	946.70	J/mol×K	1091.40	Joback Calculated Property

Similar Compounds

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

Sources

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

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