Chemical Properties of «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester

InChI

InChI=1S/C24H36F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-31-21(29)16-17-28-24(30)19-14-15-20(25)23(27)22(19)26/h14-15H,2-13,16-18H2,1H3,(H,28,30)

InChI Key

HZLZRITZTFPLQW-UHFFFAOYSA-N

Formula

C24H36F3NO3

SMILES

CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F

Molecular Weight¹

443.54

• 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	1.1799		Relay (1.0) Calculated Property
ΔfG°	-623.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1252.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.52	kJ/mol	Joback Calculated Property
ΔvapH°	125.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-7.50		Relay (1.0) Calculated Property
logPoct/wat	6.468		Crippen Calculated Property
McVol	349.560	ml/mol	McGowan Calculated Property
Pc	947.33	kPa	Joback Calculated Property
Inp	[3065.00; 3065.00]
Inp	3065.00		NIST
Inp	3065.00		NIST
Tboil	673.70	K	Relay (1.0) Calculated Property
Tc	880.10	K	Relay (1.0) Calculated Property
Tfus	346.82	K	Relay (1.0) Calculated Property
Vc	1.304	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1170.17; 1249.11]	J/mol×K	[968.28; 1188.30]
Cp,gas	1170.17	J/mol×K	968.28	Joback Calculated Property
Cp,gas	1186.65	J/mol×K	1004.95	Joback Calculated Property
Cp,gas	1201.72	J/mol×K	1041.62	Joback Calculated Property
Cp,gas	1215.45	J/mol×K	1078.29	Joback Calculated Property
Cp,gas	1227.90	J/mol×K	1114.96	Joback Calculated Property
Cp,gas	1239.10	J/mol×K	1151.63	Joback Calculated Property
Cp,gas	1249.11	J/mol×K	1188.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester.

Sources

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

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