Chemical Properties of Fenoxanil (CAS 115852-48-7)

InChI

InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)

InChI Key

IUOKJNROJISWRO-UHFFFAOYSA-N

Formula

C15H18Cl2N2O2

SMILES

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

Molecular Weight¹

329.22

CAS

115852-48-7

Other Names

• Propanamide, N-(1-cyano-1,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-

• 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	0.6768		Relay (1.0) Calculated Property
ΔfG°	131.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-290.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.20	kJ/mol	Joback Calculated Property
ΔvapH°	92.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-4.64		Relay (1.0) Calculated Property
logPoct/wat	3.815		Crippen Calculated Property
McVol	241.730	ml/mol	McGowan Calculated Property
Pc	1792.42	kPa	Joback Calculated Property
Inp	[2240.00; 2270.80]
Inp	2269.00		NIST
Inp	2270.80		NIST
Inp	2240.00		NIST
Inp	2269.00		NIST
Tboil	588.97	K	Relay (1.0) Calculated Property
Tc	872.00	K	Relay (1.0) Calculated Property
Tfus	397.09	K	Relay (1.0) Calculated Property
Vc	0.839	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[676.64; 730.69]	J/mol×K	[878.53; 1112.28]
Cp,gas	676.64	J/mol×K	878.53	Joback Calculated Property
Cp,gas	687.89	J/mol×K	917.49	Joback Calculated Property
Cp,gas	698.16	J/mol×K	956.45	Joback Calculated Property
Cp,gas	707.51	J/mol×K	995.41	Joback Calculated Property
Cp,gas	716.01	J/mol×K	1034.36	Joback Calculated Property
Cp,gas	723.72	J/mol×K	1073.32	Joback Calculated Property
Cp,gas	730.69	J/mol×K	1112.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fenoxanil.

Sources

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

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