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

• 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	1.1464		Relay (1.0) Calculated Property
ΔfG°	-214.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-960.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.13	kJ/mol	Joback Calculated Property
ΔvapH°	129.62	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	1021.38	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	896.30	K	Relay (1.0) Calculated Property
Tfus	340.31	K	Relay (1.0) Calculated Property
Vc	1.291	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1157.76; 1239.77]	J/mol×K	[959.78; 1175.18]
Cp,gas	1157.76	J/mol×K	959.78	Joback Calculated Property
Cp,gas	1174.52	J/mol×K	995.68	Joback Calculated Property
Cp,gas	1189.96	J/mol×K	1031.58	Joback Calculated Property
Cp,gas	1204.14	J/mol×K	1067.48	Joback Calculated Property
Cp,gas	1217.13	J/mol×K	1103.38	Joback Calculated Property
Cp,gas	1228.99	J/mol×K	1139.28	Joback Calculated Property
Cp,gas	1239.77	J/mol×K	1175.18	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

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