Chemical Properties of Dimefuron

InChI

InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)

InChI Key

DHWRNDJOGMTCPB-UHFFFAOYSA-N

Formula

C15H19ClN4O3

SMILES

CN(C)C(=O)Nc1ccc(-n2nc(C(C)(C)C)oc2=O)c(Cl)c1

Molecular Weight¹

338.79

Other Names

• 3-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3-yl)-3-chlorophenyl]-1,1-dimethylurea

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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).
• 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	0.8520		Relay (1.0) Calculated Property
ΔfG°	127.82	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-367.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	111.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	[-4.33; -4.33]
log10WS	-4.33		Aq. Solubility Prediction
log10WS	-4.33		Estimated Solubility
logPoct/wat	2.870		Crippen Calculated Property
McVol	244.460	ml/mol	McGowan Calculated Property
Pc	2014.87	kPa	Relay (1.0-beta) Calculated Property
Tboil	650.83	K	Relay (1.0) Calculated Property
Tc	974.43	K	Relay (1.0) Calculated Property
Tfus	459.75	K	Relay (1.0) Calculated Property
Vc	0.932	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dimefuron.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method

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