Chemical Properties of Fenoxanil, N-pentafluoropropionyl-

InChI

InChI=1S/C18H17Cl2F5N2O3/c1-9(2)16(4,8-26)27(15(29)17(21,22)18(23,24)25)14(28)10(3)30-13-6-5-11(19)7-12(13)20/h5-7,9-10H,1-4H3

InChI Key

ZIOIJIWERZSHCB-UHFFFAOYSA-N

Formula

C18H17Cl2F5N2O3

SMILES

CC(Oc1ccc(Cl)cc1Cl)C(=O)N(C(=O)C(F)(F)C(F)(F)F)C(C)(C#N)C(C)C

Molecular Weight¹

475.24

• 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	0.7576		Relay (1.0) Calculated Property
ΔfG°	-919.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-1500.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.06	kJ/mol	Joback Calculated Property
ΔvapH°	96.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-6.43		Relay (1.0) Calculated Property
logPoct/wat	5.252		Crippen Calculated Property
McVol	294.420	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2050.00; 2050.00]
Inp	2050.00		NIST
Inp	2050.00		NIST
Tboil	589.60	K	Relay (1.0) Calculated Property
Tc	817.30	K	Relay (1.0) Calculated Property
Tfus	369.14	K	Relay (1.0) Calculated Property
Vc	1.033	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[879.54; 930.10]	J/mol×K	[953.20; 1174.01]
Cp,gas	879.54	J/mol×K	953.20	Joback Calculated Property
Cp,gas	889.26	J/mol×K	990.00	Joback Calculated Property
Cp,gas	898.30	J/mol×K	1026.80	Joback Calculated Property
Cp,gas	906.79	J/mol×K	1063.60	Joback Calculated Property
Cp,gas	914.84	J/mol×K	1100.40	Joback Calculated Property
Cp,gas	922.57	J/mol×K	1137.21	Joback Calculated Property
Cp,gas	930.10	J/mol×K	1174.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fenoxanil, N-pentafluoropropionyl-.

Sources

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

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