- InChI
- InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3
- InChI Key
- LGQCVMYAEFTEFN-UHFFFAOYSA-N
- Formula
- C17H23NO
- SMILES
- C=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
- Molecular Weight1
- 257.37
- CAS
- 7619-35-4
- Other Names
-
- SKF-10,047
- WIN 19631
- 2'-Hydroxy-5,9-dimehtyl-2-allyl-6,7-benzomorphan
- 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).
- 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 | 0.5960 | Relay (... Calculated Property | |
| ΔfG° | 189.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -50.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 104.16 | kJ/mol | Relay (... Calculated Property |
| IE | 7.61 | eV | Relay (... Calculated Property |
| log10WS | -2.67 | Relay (... Calculated Property | |
| logPoct/wat | 3.102 | Crippen Calculated Property | |
| McVol | 216.460 | ml/mol | McGowan Calculated Property |
| Pc | 2317.88 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 644.11 | K | Relay (... Calculated Property |
| Tc | 885.57 | K | Relay (... Calculated Property |
| Tfus | 414.05 | K | Relay (... Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
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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