Chemical Properties of Mepronil (CAS 55814-41-0)

InChI

InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)

InChI Key

BCTQJXQXJVLSIG-UHFFFAOYSA-N

Formula

C17H19NO2

SMILES

Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1

Molecular Weight¹

269.34

CAS

55814-41-0

Other Names

• Basitac
• Benzamide, 2-methyl-N-(3-(1-methylethoxy)phenyl)-
• 3'-Isopropoxy-2-methylbenzanilide
• 2-Methyl-N-(3-(1-methylethoxy)phenyl)benzamide

• 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	0.7206		Relay (... Calculated Property
ΔfG°	150.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-233.17	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.45	kJ/mol	Joback Calculated Property
ΔvapH°	95.65	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-4.27		Relay (... Calculated Property
logPoct/wat	4.035		Crippen Calculated Property
McVol	220.290	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[2298.00; 2323.00]
Inp	2298.00		NIST
Inp	2323.00		NIST
Inp	2308.00		NIST
Inp	2298.00		NIST
Tboil	638.07	K	Relay (... Calculated Property
Tc	924.49	K	Relay (... Calculated Property
Tfus	412.53	K	Relay (... Calculated Property
Vc	0.801	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.49; 700.66]	J/mol×K	[777.70; 1010.20]
Cp,gas	625.49	J/mol×K	777.70	Joback Calculated Property
Cp,gas	640.95	J/mol×K	816.45	Joback Calculated Property
Cp,gas	655.18	J/mol×K	855.20	Joback Calculated Property
Cp,gas	668.21	J/mol×K	893.95	Joback Calculated Property
Cp,gas	680.10	J/mol×K	932.70	Joback Calculated Property
Cp,gas	690.90	J/mol×K	971.45	Joback Calculated Property
Cp,gas	700.66	J/mol×K	1010.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Mepronil.

Sources

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

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