Chemical Properties of «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester

InChI

InChI=1S/C19H28FNO3/c1-2-3-4-5-6-7-8-14-24-18(22)12-13-21-19(23)16-10-9-11-17(20)15-16/h9-11,15H,2-8,12-14H2,1H3,(H,21,23)

InChI Key

NBZFYWQPOLTQHM-UHFFFAOYSA-N

Formula

C19H28FNO3

SMILES

CCCCCCCCCOC(=O)CCNC(=O)c1cccc(F)c1

Molecular Weight¹

337.43

• 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	0.9623		Relay (1.0) Calculated Property
ΔfG°	-256.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-847.30	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.18	kJ/mol	Joback Calculated Property
ΔvapH°	108.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	4.239		Crippen Calculated Property
McVol	275.570	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	644.37	K	Relay (1.0) Calculated Property
Tc	861.55	K	Relay (1.0) Calculated Property
Tfus	316.53	K	Relay (1.0) Calculated Property
Vc	1.018	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[856.31; 932.45]	J/mol×K	[845.38; 1044.13]
Cp,gas	856.31	J/mol×K	845.38	Joback Calculated Property
Cp,gas	871.48	J/mol×K	878.51	Joback Calculated Property
Cp,gas	885.61	J/mol×K	911.63	Joback Calculated Property
Cp,gas	898.73	J/mol×K	944.76	Joback Calculated Property
Cp,gas	910.89	J/mol×K	977.88	Joback Calculated Property
Cp,gas	922.12	J/mol×K	1011.01	Joback Calculated Property
Cp,gas	932.45	J/mol×K	1044.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-(3-fluorobenzoyl)-, nonyl ester.

Sources

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

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