- InChI
- InChI=1S/C16H16O/c17-16-14-8-2-1-3-9-15(16)11-13-7-5-4-6-12(13)10-14/h4-7,10-11H,1-3,8-9H2
- InChI Key
- PKYRRPVJFKOFCM-UHFFFAOYSA-N
- Formula
- C16H16O
- SMILES
- O=c1c2cc3ccccc3cc1CCCCC2
- Molecular Weight1
- 224.30
- CAS
- 25401-39-2
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.5462 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -8633.70 ± 6.30 | kJ/mol | NIST |
| ΔfG° | 137.73 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 137.00 ± 13.00 | kJ/mol | NIST |
| ΔfH°solid | 50.90 ± 6.30 | kJ/mol | NIST |
| ΔvapH° | 98.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.00; 8.31] | eV |
|
| IE | 8.00 | eV | NIST |
| IE | 8.31 ± 0.03 | eV | NIST |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.469 | Crippen Calculated Property | |
| McVol | 183.790 | ml/mol | McGowan Calculated Property |
| Pc | 2635.94 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 672.28 | K | Relay (1.0) Calculated Property |
| Tc | 921.23 | K | Relay (1.0) Calculated Property |
| Tfus | 470.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 6,12-Methano-7H-benzocycloundecen-14-one.
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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