Chemical Properties of Disulfide, bis(p-chloro acetamido phenyl) (CAS 6339-52-2)

InChI

InChI=1S/C16H14Cl2N2O2S2/c17-9-15(21)19-11-1-5-13(6-2-11)23-24-14-7-3-12(4-8-14)20-16(22)10-18/h1-8H,9-10H2,(H,19,21)(H,20,22)

InChI Key

KSQWUMVUPBMLKB-UHFFFAOYSA-N

Formula

C16H14Cl2N2O2S2

SMILES

O=C(CCl)Nc1ccc(SSc2ccc(NC(=O)CCl)cc2)cc1

Molecular Weight¹

401.33

CAS

6339-52-2

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[731.93; 753.47]	J/mol×K	[1049.50; 1317.45]
Cp,gas	731.93	J/mol×K	1049.50	Joback Calculated Property
Cp,gas	738.41	J/mol×K	1094.16	Joback Calculated Property
Cp,gas	743.62	J/mol×K	1138.82	Joback Calculated Property
Cp,gas	747.66	J/mol×K	1183.48	Joback Calculated Property
Cp,gas	750.59	J/mol×K	1228.13	Joback Calculated Property
Cp,gas	752.50	J/mol×K	1272.79	Joback Calculated Property
Cp,gas	753.47	J/mol×K	1317.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, bis(p-chloro acetamido 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
• Joback Method
• McGowan Method
• NIST Webbook

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