Chemical Properties of Fenoxanil, N-heptafluorobutyryl-

InChI

InChI=1S/C19H17Cl2F7N2O3/c1-9(2)16(4,8-29)30(15(32)17(22,23)18(24,25)19(26,27)28)14(31)10(3)33-13-6-5-11(20)7-12(13)21/h5-7,9-10H,1-4H3

InChI Key

RVRKBSHEASGOGO-UHFFFAOYSA-N

Formula

C19H17Cl2F7N2O3

SMILES

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

Molecular Weight¹

525.25

• 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	0.7963		Relay (1.0) Calculated Property
ΔfG°	-1297.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-1915.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.39	kJ/mol	Joback Calculated Property
ΔvapH°	99.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-7.12		Relay (1.0) Calculated Property
logPoct/wat	5.887		Crippen Calculated Property
McVol	312.050	ml/mol	McGowan Calculated Property
Pc	1144.44	kPa	Joback Calculated Property
Inp	[2069.00; 2069.00]
Inp	2069.00		NIST
Inp	2069.00		NIST
Tboil	598.12	K	Relay (1.0) Calculated Property
Tc	817.15	K	Relay (1.0) Calculated Property
Tfus	362.31	K	Relay (1.0) Calculated Property
Vc	1.107	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[951.33; 1004.70]	J/mol×K	[971.39; 1191.71]
Cp,gas	951.33	J/mol×K	971.39	Joback Calculated Property
Cp,gas	961.08	J/mol×K	1008.11	Joback Calculated Property
Cp,gas	970.30	J/mol×K	1044.83	Joback Calculated Property
Cp,gas	979.12	J/mol×K	1081.55	Joback Calculated Property
Cp,gas	987.69	J/mol×K	1118.27	Joback Calculated Property
Cp,gas	996.17	J/mol×K	1154.99	Joback Calculated Property
Cp,gas	1004.70	J/mol×K	1191.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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