Chemical Properties of «beta»-Alanine, N-(2,6-difluorobenzoyl)-, decyl ester

InChI

InChI=1S/C20H29F2NO3/c1-2-3-4-5-6-7-8-9-15-26-18(24)13-14-23-20(25)19-16(21)11-10-12-17(19)22/h10-12H,2-9,13-15H2,1H3,(H,23,25)

InChI Key

AOJOMIAVCWRIEW-UHFFFAOYSA-N

Formula

C20H29F2NO3

SMILES

CCCCCCCCCCOC(=O)CCNC(=O)c1c(F)cccc1F

Molecular Weight¹

369.45

• 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	1.0194		Relay (1.0) Calculated Property
ΔfG°	-452.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1012.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.46	kJ/mol	Joback Calculated Property
ΔvapH°	109.00	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-6.03		Relay (1.0) Calculated Property
logPoct/wat	4.769		Crippen Calculated Property
McVol	291.430	ml/mol	McGowan Calculated Property
Pc	1270.97	kPa	Joback Calculated Property
Inp	[2686.00; 2686.00]
Inp	2686.00		NIST
Inp	2686.00		NIST
Tboil	643.16	K	Relay (1.0) Calculated Property
Tc	867.36	K	Relay (1.0) Calculated Property
Tfus	343.33	K	Relay (1.0) Calculated Property
Vc	1.082	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[921.78; 997.01]	J/mol×K	[872.51; 1071.28]
Cp,gas	921.78	J/mol×K	872.51	Joback Calculated Property
Cp,gas	936.86	J/mol×K	905.64	Joback Calculated Property
Cp,gas	950.88	J/mol×K	938.77	Joback Calculated Property
Cp,gas	963.87	J/mol×K	971.90	Joback Calculated Property
Cp,gas	975.87	J/mol×K	1005.02	Joback Calculated Property
Cp,gas	986.90	J/mol×K	1038.15	Joback Calculated Property
Cp,gas	997.01	J/mol×K	1071.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(2,6-difluorobenzoyl)-, decyl ester.

Sources

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

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