![1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-](/cid/44-963-4/1-3-Dioxolo-4-5-g-isoquinolin-5-ol-5-6-7-8-tetrahydro-6-methyl.png "1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-")
- InChI
- InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3
- InChI Key
- YOJQZPVUNUQTDF-UHFFFAOYSA-N
- Formula
- C11H13NO3
- SMILES
- CN1CCc2cc3c(cc2C1O)OCO3
- Molecular Weight1
- 207.23
- CAS
- 6592-85-4
- Other Names
-
- Hydraztinine
- 5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-ol
- Hydrastinine
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6580 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -343.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 99.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.894 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2884.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1590.00 | NIST | |
| Tboil | 592.00 | K | Relay (1.0) Calculated Property |
| Tc | 867.18 | K | Relay (1.0) Calculated Property |
| Tfus | 416.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-.
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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