Chemical Properties of Captafol

InChI

InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2

InChI Key

JHRWWRDRBPCWTF-UHFFFAOYSA-N

Formula

C10H9Cl4NO2S

SMILES

O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl

Molecular Weight¹

349.07

Other Names

• (Tetrachloroethylthio)tetrahydrophthalimide
• 3a,4,7,7a-Tetrahydro-2-[(1,1,2,2-tetrachloroethyl)thio]-1H-isoindole-1,3(2H)-dione
• 4-Cyclohexene-1,2-dicarboximide, N-[(1,1,2,2-tetrachloroethyl)thio]-
• Alfloc 7020
• Alfloc 7046
• Arborseal
• CS 5623
• Captatol
• Captofol
• Difolatan
• Difolatan 4F
• Difolatan 4F1
• Difolatan 80W
• Difolatan BOW
• Difosan
• Folcid
• Foltaf
• Haipen 50
• Merpafol
• N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide
• N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid
• N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid
• N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide
• N-(1,1,2,2-Tetrachloroethylthio)-«DELTA»4-tetrahydrophthalimide
• N-(Tetrachloroethylthio)tetrahydrophthalimide
• N-1,1,2,2-Tetrachloroethylmercapto-4-cyclohexene-1,2-carboximide
• Nalco 7046
• Ortho 5,865
• Ortho 5865
• Proxel EF
• Sanspor
• Santar SM
• Sulfonimide
• Sulpheimide
• Terrazol

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.40		Estimated Solubility
logPoct/wat	3.521		Crippen Calculated Property
McVol	204.170	ml/mol	McGowan Calculated Property
Tfus	[432.00; 432.81]	K
Tfus	432.81 ± 0.20	K	NIST
Tfus	432.00 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[40.22; 43.10]	kJ/mol	[432.00; 432.70]
ΔfusH	43.10	kJ/mol	432.00	NIST
ΔfusH	40.22	kJ/mol	432.70	NIST

Similar Compounds

Find more compounds similar to Captafol.

Sources

• 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
• Estimated Solubility 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.
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