Chemical Properties of Phosphonothioic dichloride, phenyl- (CAS 3497-00-5)

InChI

InChI=1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H

InChI Key

SXIWNIQDOJKDGB-UHFFFAOYSA-N

Formula

C6H5Cl2PS

SMILES

S=P(Cl)(Cl)c1ccccc1

Molecular Weight¹

211.05

CAS

3497-00-5

Other Names

• Benzenephosphorus thiodichloride
• NSC 62217
• Phenyl phosphorus thiodichloride
• Phenylphosphonothionodichloridate
• Phenylphosphonothioyl dichloride
• Phenylthionophosphonic dichloride
• Phenylthiophosphonyl dichloride
• Phosphine sulfide, dichlorophenyl-
• Phosphonodichloridothioic acid, phenyl-
• Phosphonothioic dichloride, P-phenyl-
• UN 2799
• benzene phosphorus thiodichloride
• dichloro(phenyl)phosphine sulphide
• dichlorophenylphosphine sulfide
• phenylphosphonothioic dichloride

• η : Dynamic viscosity (Pa×s).
• IE : Ionization energy (eV).
• 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
IE	[9.02; 9.47]	eV
IE	9.02	eV	NIST
IE	9.02 ± 0.03	eV	NIST
IE	9.47	eV	NIST
logPoct/wat	3.099		Crippen Calculated Property
McVol	132.930	ml/mol	McGowan Calculated Property
Tfus	279.62	K	Relay (1.0) Calculated Property

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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
η	[0.0007290; 0.0036340]	Pa×s	[303.16; 423.40]
η	0.0036340	Pa×s	303.16	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0029570	Pa×s	313.12	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0024390	Pa×s	323.25	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0020820	Pa×s	332.85	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0017910	Pa×s	343.00	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0015560	Pa×s	353.19	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0013560	Pa×s	363.25	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0011990	Pa×s	374.75	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0010820	Pa×s	383.20	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0009720	Pa×s	393.26	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0008720	Pa×s	403.85	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0007980	Pa×s	412.65	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
η	0.0007290	Pa×s	423.40	Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide

Similar Compounds

Find more compounds similar to Phosphonothioic dichloride, phenyl-.

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
• Density, Viscosity, and Vapor Pressure of Dichlorophenylphosphine Sulfide
• McGowan Method
• NIST Webbook

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