![1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-](/cid/58-827-0/1-3-Dioxolo-4-5-h-isoquinoline-6-7-8-9-tetrahydro-4-methoxy-9-methyl-S.png "1,3-Dioxolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro-4-methoxy-9-methyl-, (S)-")
- InChI
- InChI=1S/C12H15NO3/c1-7-10-8(3-4-13-7)5-9(14-2)11-12(10)16-6-15-11/h5,7,13H,3-4,6H2,1-2H3
- InChI Key
- YEGBVDVRKMCCON-UHFFFAOYSA-N
- Formula
- C12H15NO3
- SMILES
- COc1cc2c(c3c1OCO3)C(C)NCC2
- Molecular Weight1
- 221.25
- CAS
- 519-04-0
- Other Names
-
- Anhalonine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion 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 | 0.6151 | Relay (... Calculated Property | |
| ΔfG° | 51.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.00 | kJ/mol | Relay (... Calculated Property |
| IE | 7.62 | eV | Relay (... Calculated Property |
| log10WS | -2.07 | Relay (... Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 3117.52 | kPa | Joback Calculated Property |
| Inp | 1850.00 | NIST | |
| Tboil | 587.66 | K | Relay (... Calculated Property |
| Tc | 850.60 | K | Relay (... Calculated Property |
| Tfus | 408.31 | K | Relay (... Calculated Property |
| Vc | 0.619 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.85; 528.07] | J/mol×K | [667.85; 906.52] | 
|
| Cp,gas | 448.85 | J/mol×K | 667.85 | Joback Calculated Property |
| Cp,gas | 464.44 | J/mol×K | 707.63 | Joback Calculated Property |
| Cp,gas | 478.99 | J/mol×K | 747.41 | Joback Calculated Property |
| Cp,gas | 492.58 | J/mol×K | 787.19 | Joback Calculated Property |
| Cp,gas | 505.25 | J/mol×K | 826.96 | Joback Calculated Property |
| Cp,gas | 517.06 | J/mol×K | 866.74 | Joback Calculated Property |
| Cp,gas | 528.07 | J/mol×K | 906.52 | Joback Calculated Property |
Similar Compounds
Sources
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