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

InChI

InChI=1S/C15H20ClNO3/c1-2-3-4-11-20-14(18)9-10-17-15(19)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19)

InChI Key

AEPLOPPDIMQBKI-UHFFFAOYSA-N

Formula

C15H20ClNO3

SMILES

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

Molecular Weight¹

297.78

• 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°	-107.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.52	kJ/mol	Joback Calculated Property
ΔfusH°	41.94	kJ/mol	Joback Calculated Property
ΔvapH°	78.65	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.193		Crippen Calculated Property
McVol	229.680	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[2390.00; 2390.00]
Inp	2390.00		NIST
Inp	2390.00		NIST
Tboil	792.02	K	Joback Calculated Property
Tc	1001.35	K	Joback Calculated Property
Tfus	502.42	K	Joback Calculated Property
Vc	0.881	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.16; 713.66]	J/mol×K	[792.02; 1001.35]
Cp,gas	647.16	J/mol×K	792.02	Joback Calculated Property
Cp,gas	660.53	J/mol×K	826.91	Joback Calculated Property
Cp,gas	672.95	J/mol×K	861.80	Joback Calculated Property
Cp,gas	684.45	J/mol×K	896.69	Joback Calculated Property
Cp,gas	695.04	J/mol×K	931.58	Joback Calculated Property
Cp,gas	704.77	J/mol×K	966.46	Joback Calculated Property
Cp,gas	713.66	J/mol×K	1001.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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