- InChI
- InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3
- InChI Key
- DIVNUTGTTIRPQA-UHFFFAOYSA-N
- Formula
- C9H13NO2
- SMILES
- COc1ccc(CN)cc1OC
- Molecular Weight1
- 167.21
- CAS
- 5763-61-1
- Other Names
-
- Veratrylamine
- Benzenemethanamine, 3,4-dimethoxy-
- Benzylamine, 3,4-(dimethoxy)-
- 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).
- 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).
- 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° | -25.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.163 | Crippen Calculated Property | |
| McVol | 135.630 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Tboil | 559.33 | K | Joback Calculated Property |
| Tc | 776.09 | K | Joback Calculated Property |
| Tfus | 370.37 | K | Joback Calculated Property |
| Vc | 0.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.11; 386.14] | J/mol×K | [559.33; 776.09] | 
|
| Cp,gas | 318.11 | J/mol×K | 559.33 | Joback Calculated Property |
| Cp,gas | 330.99 | J/mol×K | 595.46 | Joback Calculated Property |
| Cp,gas | 343.27 | J/mol×K | 631.58 | Joback Calculated Property |
| Cp,gas | 354.93 | J/mol×K | 667.71 | Joback Calculated Property |
| Cp,gas | 365.96 | J/mol×K | 703.83 | Joback Calculated Property |
| Cp,gas | 376.37 | J/mol×K | 739.96 | Joback Calculated Property |
| Cp,gas | 386.14 | J/mol×K | 776.09 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [393.20; 429.20] | K | [0.40; 1.60] |
|
| Tboilr | 393.20 | K | 0.40 | NIST |
| Tboilr | 429.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Dimethoxybenzylamine.
Sources
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