Chemical Properties of Dichlofluanid (CAS 1085-98-9)

InChI

InChI=1S/C9H11Cl2FN2O2S2/c1-13(2)18(15,16)14(17-9(10,11)12)8-6-4-3-5-7-8/h3-7H,1-2H3

InChI Key

WURGXGVFSMYFCG-UHFFFAOYSA-N

Formula

C9H11Cl2FN2O2S2

SMILES

CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)c1ccccc1

Molecular Weight¹

333.23

CAS

1085-98-9

Other Names

• Methanesulfenamide, 1,1-dichloro-N-[(dimethylamino)sulfonyl]-1-fluoro-N-phenyl-
• Sulfamide, N-[(dichlorofluoromethyl)thio]-N',N'-dimethyl-N-phenyl-
• Bayer 47531
• BAY 47531
• Dichlofluanide
• Elvaron
• Eparen
• Euparen
• Oiparen
• Pecudin
• N'-Dichlorofluoromethylthio-NN-dimethyl-N'-phenylsulphamide
• Aniline, N-((dichlorofluoromethyl)thio)-N-((dimethylamino)sulfonyl)-
• Euparene
• Ku 13-o32-c
• KUE 13032c
• N-(Dichlor-fluor-methyl-thio)-N',N'-dimethyl-N-phenyl-schwefel-saeurediamid
• N-((Dichlorofluoromethyl)thio)-N',N'-dimethyl-N-phenylsulfamide
• N,N-Dimethyl-N'-phenyl-N'-((fluorodichloromethyl)thio)sulfamide
• 1,1-Dichloro-N-((dimethylamino)sulfonyl)-1-fluoro-N-phenylmethanesulfenamide
• Diclofluanide
• NSC 218451

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.72	kJ/mol	Joback Calculated Property
logPoct/wat	3.006		Crippen Calculated Property
McVol	204.560	ml/mol	McGowan Calculated Property
Inp	[1921.00; 1965.00]
Inp	1921.00		NIST
Inp	1943.00		NIST
Inp	1947.00		NIST
Inp	1965.00		NIST
Inp	1921.00		NIST
Inp	1947.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.23; 562.08]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.40000e-01
Coefficient B			1.20692e+00
Coefficient C			-8.45400e-04
Coefficient D			2.00900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.23	J/mol×K	273.00	Calculated Property
Cp,gas	329.73	J/mol×K	353.78	Calculated Property
Cp,gas	380.98	J/mol×K	434.56	Calculated Property
Cp,gas	424.61	J/mol×K	515.33	Calculated Property
Cp,gas	461.26	J/mol×K	596.11	Calculated Property
Cp,gas	491.57	J/mol×K	676.89	Calculated Property
Cp,gas	516.17	J/mol×K	757.67	Calculated Property
Cp,gas	535.70	J/mol×K	838.44	Calculated Property
Cp,gas	550.79	J/mol×K	919.22	Calculated Property
Cp,gas	562.08	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dichlofluanid.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.