- Name
- Octane
- InChI
- InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
- InChI Key
- TVMXDCGIABBOFY-UHFFFAOYSA-N
- Formula
- C8H18
- SMILES
- CCCCCCCC
- Mol. Weight (g/mol)
- 114.23
- CAS
- 111-65-9
- Name
- 3-Hydroxyestra-1,3,5(10)-trien-17-one
- InChI
- InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
- InChI Key
- DNXHEGUUPJUMQT-UHFFFAOYSA-N
- Formula
- C18H22O2
- SMILES
-
CC12CCC3c4ccc(O)cc4CCC3C1CCC2=
O - Mol. Weight (g/mol)
- 270.37
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Datasets
Mole fraction of 3-Hydroxyestra-1,3,5(10)-trien-17-one (2) [ref]
Operational condition: Pressure, kPa = 101 (Liquid)
| Temperature, K - Liquid | Mole fraction of 3-Hydroxyestra-1,3,5(10)-trien-17-one (2) - Liquid |
|---|---|
| 328.20 | 0.0006 |
| 323.20 | 0.0005 |
| 318.20 | 0.0004 |
| 313.20 | 0.0003 |
| 308.20 | 0.0002 |
| 303.20 | 0.0002 |
| 298.20 | 0.0002 |
| 293.20 | 0.0001 |