- InChI
- InChI=1S/C10H15NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3-4,11H2,1-2H3
- InChI Key
- ZHSFEDDRTVLPHH-UHFFFAOYSA-N
- Formula
- C10H15NO2
- SMILES
- COc1cc(CCN)cc(OC)c1
- Molecular Weight1
- 181.23
- CAS
- 3213-28-3
- Other Names
-
- Benzeneethanamine, 3,5-dimethoxy-
- 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 | 0.6508 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 149.720 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Tboil | 565.00 | K | Relay (1.0) Calculated Property |
| Tc | 751.54 | K | Relay (1.0) Calculated Property |
| Tfus | 337.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.65; 437.30] | J/mol×K | [582.21; 795.30] | 
|
| Cp,gas | 364.65 | J/mol×K | 582.21 | Joback Calculated Property |
| Cp,gas | 378.45 | J/mol×K | 617.72 | Joback Calculated Property |
| Cp,gas | 391.58 | J/mol×K | 653.24 | Joback Calculated Property |
| Cp,gas | 404.04 | J/mol×K | 688.75 | Joback Calculated Property |
| Cp,gas | 415.81 | J/mol×K | 724.27 | Joback Calculated Property |
| Cp,gas | 426.90 | J/mol×K | 759.78 | Joback Calculated Property |
| Cp,gas | 437.30 | J/mol×K | 795.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Dimethoxyphenethylamine.
Sources
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