- InChI
- InChI=1S/C7H7NO/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H2,8,9)
- InChI Key
- PIOPKWFBKZTUMS-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- Nc1cccccc1=O
- Molecular Weight1
- 121.14
- CAS
- 6264-93-3
- Other Names
-
- 2-Aminotropone
- 2-Amino-2,4,6-cycloheptatriene-1-one
- 2-Amino-2,4,6-cycloheptatrien-1-one
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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 | 0.4823 | Relay (... Calculated Property | |
| ΔfG° | 49.17 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -14.26 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 86.26 | kJ/mol | Relay (... Calculated Property |
| IE | 9.43 ± 0.02 | eV | NIST |
| log10WS | -0.42 | Relay (... Calculated Property | |
| logPoct/wat | 0.629 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4382.56 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 530.72 | K | Relay (... Calculated Property |
| Tc | 765.33 | K | Relay (... Calculated Property |
| Tfus | 385.78 | K | Relay (... Calculated Property |
| Vc | 0.336 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | 71.10 ± 0.40 | kJ/mol | 303.00 | NIST |
Similar Compounds
![Benzo[c]phenanthrene, 4-amino.](data:image/png;base64,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)
Find more compounds similar to 2,4,6-Cycloheptatrien-1-one, 2-amino-.
Sources
- Cheméo Relay (1.0)
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- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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