Chemical Properties of P-chlorobenzene sulfonic acid, acetylene hydrazide (CAS 116465-37-3)

InChI

InChI=1S/C14H12Cl2N4O4S2/c15-11-1-5-13(6-2-11)25(21,22)19-17-9-10-18-20-26(23,24)14-7-3-12(16)4-8-14/h1-10,19-20H/b17-9+,18-10+

InChI Key

USRRQFPRMVOFJJ-BEQMOXJMSA-N

Formula

C14H12Cl2N4O4S2

SMILES

O=S(=O)(NN=CC=NNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

Molecular Weight¹

435.31

CAS

116465-37-3

• 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

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, 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.

Similar Compounds

Find more compounds similar to P-chlorobenzene sulfonic acid, acetylene hydrazide.

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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