- InChI
- InChI=1S/C11H9NO/c13-11(10-7-4-8-12-10)9-5-2-1-3-6-9/h1-8,12H
- InChI Key
- NFGGQMYSOLVBLF-UHFFFAOYSA-N
- Formula
- C11H9NO
- SMILES
- O=C(c1ccccc1)c1ccc[nH]1
- Molecular Weight1
- 171.20
- CAS
- 7697-46-3
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5130 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.52 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 51.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.764 | Crippen Calculated Property | |
| McVol | 134.180 | ml/mol | McGowan Calculated Property |
| Pc | 4000.42 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 578.00 | K | NIST |
| Tc | 865.16 | K | Relay (1.0) Calculated Property |
| Tfus | 352.00 | K | NIST |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 403.00 | K | 0.01 | NIST |
Similar Compounds
Find more compounds similar to Ketone, phenyl pyrrol-2-yl.
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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