- InChI
- InChI=1S/C6H9N3O4S/c1-2-3-14(12,13)6-5(9(10)11)7-4-8-6/h4H,2-3H2,1H3,(H,7,8)
- InChI Key
- XUTRKPNWAVOXOO-UHFFFAOYSA-N
- Formula
- C6H9N3O4S
- SMILES
-
CCCS(=O)(=O)c1[nH]cnc1[N+](=O)
[O-] - Molecular Weight1
- 219.22
- CAS
- 99980-28-6
- 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 | 0.6695 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.76 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -217.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.020 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Pc | 3311.50 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 605.45 | K | Relay (1.0) Calculated Property |
| Tc | 879.42 | K | Relay (1.0) Calculated Property |
| Tfus | 407.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Imidazole, 4-nitro-5-(propylsulfonyl)-.
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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