Chemical Properties of Chlorimuron-ethyl (ph 7)

InChI

InChI=1S/C15H15ClN4O6S/c1-3-26-14(22)10-6-4-5-7-11(10)27(23,24)19-20(9-21)15-17-12(16)8-13(18-15)25-2/h4-9,19H,3H2,1-2H3

InChI Key

MBDMKWJEKDHRRP-UHFFFAOYSA-N

Formula

C15H15ClN4O6S

SMILES

CCOC(=O)c1ccccc1S(=O)(=O)NN(C=O)c1nc(Cl)cc(OC)n1

Molecular Weight¹

414.83

Other Names

• ethyl 2-[[(4-chloro-6-methoxypyrimidin-2-yl)-formylamino]sulfamoyl]benzoate

• 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	0.9570		Relay (1.0) Calculated Property
ΔfG°	-177.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-656.69	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.82	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	[-4.58; -4.58]
log10WS	-4.58		Aq. Solubility Prediction
log10WS	-4.58		Estimated Solubility
logPoct/wat	1.172		Crippen Calculated Property
McVol	269.820	ml/mol	McGowan Calculated Property
Pc	1943.09	kPa	Relay (1.0-beta) Calculated Property
Tboil	703.32	K	Relay (1.0) Calculated Property
Tc	1060.85	K	Relay (1.0) Calculated Property
Tfus	426.94	K	Relay (1.0) Calculated Property
Vc	0.966	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Chlorimuron-ethyl (ph 7).

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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