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

InChI

InChI=1S/C24H37F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-22(28)17-18-27-24(29)23-20(25)15-14-16-21(23)26/h14-16H,2-13,17-19H2,1H3,(H,27,29)

InChI Key

OOQPBINVCQVNML-UHFFFAOYSA-N

Formula

C24H37F2NO3

SMILES

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

Molecular Weight¹

425.55

• 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	1.1642		Relay (1.0) Calculated Property
ΔfG°	-418.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1095.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	66.82	kJ/mol	Joback Calculated Property
ΔvapH°	124.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-7.12		Relay (1.0) Calculated Property
logPoct/wat	6.329		Crippen Calculated Property
McVol	347.790	ml/mol	McGowan Calculated Property
Pc	983.31	kPa	Joback Calculated Property
Inp	[3317.00; 3317.00]
Inp	3317.00		NIST
Inp	3317.00		NIST
Tboil	670.56	K	Relay (1.0) Calculated Property
Tc	897.31	K	Relay (1.0) Calculated Property
Tfus	351.40	K	Relay (1.0) Calculated Property
Vc	1.299	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1163.99; 1244.40]	J/mol×K	[964.03; 1181.31]
Cp,gas	1163.99	J/mol×K	964.03	Joback Calculated Property
Cp,gas	1180.58	J/mol×K	1000.24	Joback Calculated Property
Cp,gas	1195.82	J/mol×K	1036.46	Joback Calculated Property
Cp,gas	1209.76	J/mol×K	1072.67	Joback Calculated Property
Cp,gas	1222.47	J/mol×K	1108.88	Joback Calculated Property
Cp,gas	1234.00	J/mol×K	1145.09	Joback Calculated Property
Cp,gas	1244.40	J/mol×K	1181.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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