- 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
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -548.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 2.222 | Crippen Calculated Property | |
| McVol | 272.580 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Tboil | 1007.16 | K | Joback Calculated Property |
| Tc | 1255.89 | K | Joback Calculated Property |
Similar Compounds
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Sources
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