Chemical Properties of «beta»-Alanine, N-(4-fluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C24H38FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-29-23(27)18-19-26-24(28)21-14-16-22(25)17-15-21/h14-17H,2-13,18-20H2,1H3,(H,26,28)

InChI Key

RSLUVXDXHMZISR-UHFFFAOYSA-N

Formula

C24H38FNO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)cc1

Molecular Weight¹

407.56

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-960.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.72	kJ/mol	Joback Calculated Property
ΔvapH°	130.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-6.81		Relay (1.0) Calculated Property
logPoct/wat	6.190		Crippen Calculated Property
McVol	346.020	ml/mol	McGowan Calculated Property
Pc	995.13	kPa	Joback Calculated Property
Inp	[3273.00; 3273.00]
Inp	3273.00		NIST
Inp	3273.00		NIST
Tboil	682.96	K	Relay (1.0) Calculated Property
Tc	898.78	K	Relay (1.0) Calculated Property
Tfus	332.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[1150.24; 1231.47]	J/mol×K	[941.91; 1153.18]
Cp,gas	1150.24	J/mol×K	941.91	Joback Calculated Property
Cp,gas	1166.92	J/mol×K	977.12	Joback Calculated Property
Cp,gas	1182.26	J/mol×K	1012.33	Joback Calculated Property
Cp,gas	1196.33	J/mol×K	1047.54	Joback Calculated Property
Cp,gas	1209.18	J/mol×K	1082.75	Joback Calculated Property
Cp,gas	1220.88	J/mol×K	1117.97	Joback Calculated Property
Cp,gas	1231.47	J/mol×K	1153.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(4-fluorobenzoyl)-, tetradecyl 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.
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