- InChI
- InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3
- InChI Key
- RHCSKNNOAZULRK-UHFFFAOYSA-N
- Formula
- C11H17NO3
- SMILES
- COc1cc(CCN)cc(OC)c1OC
- Molecular Weight1
- 211.26
- CAS
- 54-04-6
- Other Names
-
- Phenethylamine, 3,4,5-trimethoxy-
- Mescalin
- Mezcalin
- Mezcaline
- TMPEA
- 3,4,5-Trimethoxyphenethylamine
- 3,4,5-Trimethoxyphenylethylamine
- Ethane, 1-amino-2-(3,4,5-trimethoxyphenyl)-
- Mescline
- Mezcline
- 3,4,5-Trimethoxybenzeneethanamine
- Mescaline
- 2-(3,4,5-Trimethoxyphenyl)ethylamine
- NSC 30419
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -123.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.21 | kJ/mol | Joback Calculated Property |
| IE | 8.18 ± 0.24 | eV | NIST |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.214 | Crippen Calculated Property | |
| McVol | 169.680 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1657.00; 1731.00] |
|
|
| Inp | 1674.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | Outlier 1731.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1695.00 | NIST | |
| Inp | 1664.00 | NIST | |
| Inp | 1690.00 | NIST | |
| Inp | 1657.00 | NIST | |
| Inp | 1688.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Tboil | 632.49 | K | Joback Calculated Property |
| Tc | 840.81 | K | Joback Calculated Property |
| Tfus | 427.66 | K | Joback Calculated Property |
| Vc | 0.626 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.68; 512.33] | J/mol×K | [632.49; 840.81] |
|
| Cp,gas | 437.68 | J/mol×K | 632.49 | Joback Calculated Property |
| Cp,gas | 451.89 | J/mol×K | 667.21 | Joback Calculated Property |
| Cp,gas | 465.41 | J/mol×K | 701.93 | Joback Calculated Property |
| Cp,gas | 478.24 | J/mol×K | 736.65 | Joback Calculated Property |
| Cp,gas | 490.35 | J/mol×K | 771.37 | Joback Calculated Property |
| Cp,gas | 501.72 | J/mol×K | 806.09 | Joback Calculated Property |
| Cp,gas | 512.33 | J/mol×K | 840.81 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 453.20 | K | 1.60 | NIST |
Similar Compounds
![Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-.](data:image/png;base64,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)
Find more compounds similar to Benzeneethanamine, 3,4,5-trimethoxy-.
Sources
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