- InChI
- InChI=1S/C11H6Cl2N2O3S/c12-6-2-1-5(3-7(6)13)10(16)9-4-8(15(17)18)11(14)19-9/h1-4H,14H2
- InChI Key
- VJLKOTCOOSHMGP-UHFFFAOYSA-N
- Formula
- C11H6Cl2N2O3S
- SMILES
-
Nc1sc(C(=O)c2ccc(Cl)c(Cl)c2)cc
1[N+](=O)[O-] - Molecular Weight1
- 317.15
- CAS
- 99971-81-0
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7594 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.46 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -24.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 109.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.776 | Crippen Calculated Property | |
| McVol | 192.430 | ml/mol | McGowan Calculated Property |
| Pc | 2789.82 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 645.57 | K | Relay (1.0) Calculated Property |
| Tc | 1010.14 | K | Relay (1.0) Calculated Property |
| Tfus | 482.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Ketone, 5-amino-4-nitro-2-thienyl-3,4-dichlorophenyl.
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
- McGowan Method
- NIST Webbook
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