Chemical Properties of «beta»-Alanine, N-(4-ethylbenzoyl)-, undecyl ester

InChI

InChI=1S/C23H37NO3/c1-3-5-6-7-8-9-10-11-12-19-27-22(25)17-18-24-23(26)21-15-13-20(4-2)14-16-21/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)

InChI Key

NRHZFUKTDNXZBH-UHFFFAOYSA-N

Formula

C23H37NO3

SMILES

CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(CC)cc1

Molecular Weight¹

375.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-737.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.46	kJ/mol	Joback Calculated Property
ΔvapH°	122.97	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	5.443		Crippen Calculated Property
McVol	330.160	ml/mol	McGowan Calculated Property
Pc	1120.05	kPa	Joback Calculated Property
Inp	[3171.00; 3171.00]
Inp	3171.00		NIST
Inp	3171.00		NIST
Tboil	672.19	K	Relay (1.0) Calculated Property
Tc	897.40	K	Relay (1.0) Calculated Property
Tfus	320.27	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.26; 1171.00]	J/mol×K	[937.63; 1148.79]
Cp,gas	1089.26	J/mol×K	937.63	Joback Calculated Property
Cp,gas	1105.84	J/mol×K	972.82	Joback Calculated Property
Cp,gas	1121.17	J/mol×K	1008.02	Joback Calculated Property
Cp,gas	1135.30	J/mol×K	1043.21	Joback Calculated Property
Cp,gas	1148.28	J/mol×K	1078.41	Joback Calculated Property
Cp,gas	1160.16	J/mol×K	1113.60	Joback Calculated Property
Cp,gas	1171.00	J/mol×K	1148.79	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.