- InChI
- InChI=1S/C11H17NO2/c1-8(12)7-9-5-4-6-10(13-2)11(9)14-3/h4-6,8H,7,12H2,1-3H3
- InChI Key
- DHLWJXGSZDJWKK-UHFFFAOYSA-N
- Formula
- C11H17NO2
- SMILES
- COc1cccc(CC(C)N)c1OC
- Molecular Weight1
- 195.26
- CAS
- 15402-81-0
- Other Names
-
- Benzeneethanamine,2,3-dimethoxy-«alpha»-methyl-
- 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).
- 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 | 0.6229 | Relay (... Calculated Property | |
| ΔfG° | -11.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.30 | eV | NIST |
| log10WS | -1.17 | Relay (... Calculated Property | |
| logPoct/wat | 1.593 | Crippen Calculated Property | |
| McVol | 163.810 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Tboil | 545.32 | K | Relay (... Calculated Property |
| Tc | 745.55 | K | Relay (... Calculated Property |
| Tfus | 335.60 | K | Relay (... Calculated Property |
| Vc | 0.586 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.34; 491.41] | J/mol×K | [604.65; 818.55] | 
|
| Cp,gas | 413.34 | J/mol×K | 604.65 | Joback Calculated Property |
| Cp,gas | 428.28 | J/mol×K | 640.30 | Joback Calculated Property |
| Cp,gas | 442.45 | J/mol×K | 675.95 | Joback Calculated Property |
| Cp,gas | 455.85 | J/mol×K | 711.60 | Joback Calculated Property |
| Cp,gas | 468.48 | J/mol×K | 747.25 | Joback Calculated Property |
| Cp,gas | 480.33 | J/mol×K | 782.90 | Joback Calculated Property |
| Cp,gas | 491.41 | J/mol×K | 818.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethoxyamphetamine.
Sources
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