Chemical Properties of «beta»-Alanine, N-(4-butylbenzoyl)-, decyl ester

InChI

InChI=1S/C24H39NO3/c1-3-5-7-8-9-10-11-12-20-28-23(26)18-19-25-24(27)22-16-14-21(15-17-22)13-6-4-2/h14-17H,3-13,18-20H2,1-2H3,(H,25,27)

InChI Key

ZQXAXGJHMBEQNM-UHFFFAOYSA-N

Formula

C24H39NO3

SMILES

CCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

389.57

• 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	1.1325		Relay (1.0) Calculated Property
ΔfG°	-19.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.05	kJ/mol	Joback Calculated Property
ΔvapH°	125.46	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-6.36		Relay (1.0) Calculated Property
logPoct/wat	5.833		Crippen Calculated Property
McVol	344.250	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[3373.00; 3373.00]
Inp	3373.00		NIST
Inp	3373.00		NIST
Tboil	685.68	K	Relay (1.0) Calculated Property
Tc	903.41	K	Relay (1.0) Calculated Property
Tfus	321.14	K	Relay (1.0) Calculated Property
Vc	1.283	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1150.88; 1233.63]	J/mol×K	[960.51; 1175.99]
Cp,gas	1150.88	J/mol×K	960.51	Joback Calculated Property
Cp,gas	1167.76	J/mol×K	996.42	Joback Calculated Property
Cp,gas	1183.34	J/mol×K	1032.34	Joback Calculated Property
Cp,gas	1197.65	J/mol×K	1068.25	Joback Calculated Property
Cp,gas	1210.76	J/mol×K	1104.16	Joback Calculated Property
Cp,gas	1222.74	J/mol×K	1140.07	Joback Calculated Property
Cp,gas	1233.63	J/mol×K	1175.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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