Chemical Properties of Cyazofamid (CAS 120116-88-3)

InChI

InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3

InChI Key

YXKMMRDKEKCERS-UHFFFAOYSA-N

Formula

C13H13ClN4O2S

SMILES

Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1

Molecular Weight¹

324.79

CAS

120116-88-3

Other Names

• 1H-Imidazole-1-sulfonamide, 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-
• 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide

• 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).
• 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	0.7048		Relay (1.0) Calculated Property
ΔfG°	323.33	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-10.66	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.25	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-4.61		Relay (1.0) Calculated Property
logPoct/wat	2.038		Crippen Calculated Property
McVol	222.460	ml/mol	McGowan Calculated Property
Pc	2075.88	kPa	Relay (1.0-beta) Calculated Property
Inp	[2388.00; 2388.00]
Inp	2388.00		NIST
Inp	2388.00		NIST
Tboil	667.02	K	Relay (1.0) Calculated Property
Tc	973.26	K	Relay (1.0) Calculated Property
Tfus	460.47	K	Relay (1.0) Calculated Property
Vc	0.829	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cyazofamid.

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
• Crippen Method
• McGowan Method
• NIST Webbook

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