Chemical Properties of «beta»-Alanine, n-pentafluoropropionyl-, octadecyl ester

InChI

InChI=1S/C24H42F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-21(31)18-19-30-22(32)23(25,26)24(27,28)29/h2-20H2,1H3,(H,30,32)

InChI Key

XTGJXGBMVYSVER-UHFFFAOYSA-N

Formula

C24H42F5NO3

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

487.59

• 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	1.1809		Relay (1.0) Calculated Property
ΔfG°	-1090.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-2007.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	67.97	kJ/mol	Joback Calculated Property
ΔvapH°	120.53	kJ/mol	Relay (1.0) Calculated Property
IE	10.09	eV	Relay (1.0) Calculated Property
log10WS	-7.67		Relay (1.0) Calculated Property
logPoct/wat	7.495		Crippen Calculated Property
McVol	376.860	ml/mol	McGowan Calculated Property
Pc	777.21	kPa	Joback Calculated Property
Inp	[2632.00; 2632.00]
Inp	2632.00		NIST
Inp	2632.00		NIST
Tboil	632.35	K	Relay (1.0) Calculated Property
Tc	774.42	K	Relay (1.0) Calculated Property
Tfus	336.33	K	Relay (1.0) Calculated Property
Vc	1.414	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1286.38; 1387.35]	J/mol×K	[918.74; 1134.11]
Cp,gas	1286.38	J/mol×K	918.74	Joback Calculated Property
Cp,gas	1306.13	J/mol×K	954.63	Joback Calculated Property
Cp,gas	1324.57	J/mol×K	990.53	Joback Calculated Property
Cp,gas	1341.80	J/mol×K	1026.42	Joback Calculated Property
Cp,gas	1357.94	J/mol×K	1062.32	Joback Calculated Property
Cp,gas	1373.09	J/mol×K	1098.21	Joback Calculated Property
Cp,gas	1387.35	J/mol×K	1134.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, n-pentafluoropropionyl-, octadecyl ester.

Sources

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

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