![2-Acetyl-5-nitrobenzo[b]furan](/cid/83-442-9/2-Acetyl-5-nitrobenzo-b-furan.png "2-Acetyl-5-nitrobenzo[b]furan")
- InChI
- InChI=1S/C10H7NO4/c1-6(12)10-5-7-4-8(11(13)14)2-3-9(7)15-10/h2-5H,1H3
- InChI Key
- RMXFQPLULZFJMH-UHFFFAOYSA-N
- Formula
- C10H7NO4
- SMILES
-
CC(=O)c1cc2cc([N+](=O)[O-])ccc
2o1 - Molecular Weight1
- 205.17
- CAS
- 23136-39-2
- 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 | 0.6483 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.90 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -183.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 90.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.544 | Crippen Calculated Property | |
| McVol | 137.700 | ml/mol | McGowan Calculated Property |
| Pc | 3599.86 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 587.85 | K | Relay (1.0) Calculated Property |
| Tc | 874.31 | K | Relay (1.0) Calculated Property |
| Tfus | 418.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.518 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetyl-5-nitrobenzo[b]furan.
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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