- InChI
- InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3
- InChI Key
- WGTASENVNYJZBK-UHFFFAOYSA-N
- Formula
- C12H19NO3
- SMILES
- COc1cc(CC(C)N)cc(OC)c1OC
- Molecular Weight1
- 225.28
- CAS
- 22199-17-3
- 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 |
|---|---|---|---|
| ΔfG° | -117.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -457.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.05 | kJ/mol | Joback Calculated Property |
| IE | 8.16 ± 0.06 | eV | NIST |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 1.602 | Crippen Calculated Property | |
| McVol | 183.770 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Tboil | 654.93 | K | Joback Calculated Property |
| Tc | 864.02 | K | Joback Calculated Property |
| Tfus | 423.93 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.94; 567.95] | J/mol×K | [654.93; 864.02] | 
|
| Cp,gas | 488.94 | J/mol×K | 654.93 | Joback Calculated Property |
| Cp,gas | 504.12 | J/mol×K | 689.78 | Joback Calculated Property |
| Cp,gas | 518.51 | J/mol×K | 724.63 | Joback Calculated Property |
| Cp,gas | 532.11 | J/mol×K | 759.48 | Joback Calculated Property |
| Cp,gas | 544.90 | J/mol×K | 794.33 | Joback Calculated Property |
| Cp,gas | 556.85 | J/mol×K | 829.17 | Joback Calculated Property |
| Cp,gas | 567.95 | J/mol×K | 864.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenethanamine, 3,4,5-trimethoxy-«alpha»-methyl-(.+/-.)-.
Sources
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