- InChI
- InChI=1S/C5H4N2O5S/c1-12-5-3(6(8)9)2-4(13-5)7(10)11/h2H,1H3
- InChI Key
- RJWFPSOMDHNPMZ-UHFFFAOYSA-N
- Formula
- C5H4N2O5S
- SMILES
-
COc1sc([N+](=O)[O-])cc1[N+](=O
)[O-] - Molecular Weight1
- 204.16
- CAS
- 27357-00-2
- 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 | 0.6330 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -28.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 71.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.573 | Crippen Calculated Property | |
| McVol | 118.910 | ml/mol | McGowan Calculated Property |
| Pc | 3810.12 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 543.16 | K | Relay (1.0) Calculated Property |
| Tc | 812.04 | K | Relay (1.0) Calculated Property |
| Tfus | 356.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Thiophene, 2-methoxy 3,5-dinitro.
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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