- InChI
- InChI=1S/C23H30O/c24-23-21-15-9-7-5-3-1-2-4-6-8-10-16-22(23)18-20-14-12-11-13-19(20)17-21/h11-14,17-18H,1-10,15-16H2
- InChI Key
- LRURKHXGUOCKOP-UHFFFAOYSA-N
- Formula
- C23H30O
- SMILES
-
O=c1c2cc3ccccc3cc1CCCCCCCCCCCC
2 - Molecular Weight1
- 322.48
- CAS
- 25401-43-8
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -13075.00 ± 11.00 | kJ/mol | NIST |
| ΔfH°gas | -160.00 ± 15.00 | kJ/mol | NIST |
| ΔfH°solid | -263.00 ± 11.00 | kJ/mol | NIST |
| IE | 8.15 ± 0.03 | eV | NIST |
| log10WS | -7.55 | Crippen Calculated Property | |
| logPoct/wat | 6.200 | Crippen Calculated Property | |
| McVol | 282.420 | ml/mol | McGowan Calculated Property |
Similar Compounds
Find more compounds similar to 6,19-Methanobenzocyclooctadecen-21-one.
Sources
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