- InChI
- InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-6H,1-2H3
- InChI Key
- JIVGSHFYXPRRSZ-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COc1cccc(C=O)c1OC
- Molecular Weight1
- 166.17
- CAS
- 86-51-1
- Other Names
-
- o-Veratraldehyde
- 2,3-Dimethoxybenzaldehyde
- 2-Hydroxy-3-methoxybenzaldehyde, methyl ether
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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° | -191.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3299.15 | kPa | Joback Calculated Property |
| Inp | [1362.00; 1391.50] |
|
|
| Inp | 1391.50 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1391.50 | NIST | |
| Tboil | 535.46 | K | Joback Calculated Property |
| Tc | 746.40 | K | Joback Calculated Property |
| Tfus | 329.11 | K | Joback Calculated Property |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.82; 340.46] | J/mol×K | [535.46; 746.40] |
|
| Cp,gas | 279.82 | J/mol×K | 535.46 | Joback Calculated Property |
| Cp,gas | 291.21 | J/mol×K | 570.62 | Joback Calculated Property |
| Cp,gas | 302.11 | J/mol×K | 605.77 | Joback Calculated Property |
| Cp,gas | 312.49 | J/mol×K | 640.93 | Joback Calculated Property |
| Cp,gas | 322.35 | J/mol×K | 676.09 | Joback Calculated Property |
| Cp,gas | 331.68 | J/mol×K | 711.24 | Joback Calculated Property |
| Cp,gas | 340.46 | J/mol×K | 746.40 | Joback Calculated Property |
| η | [0.0001969; 0.0011750] | Pa×s | [329.11; 535.46] |
|
| η | 0.0011750 | Pa×s | 329.11 | Joback Calculated Property |
| η | 0.0007578 | Pa×s | 363.50 | Joback Calculated Property |
| η | 0.0005273 | Pa×s | 397.89 | Joback Calculated Property |
| η | 0.0003887 | Pa×s | 432.29 | Joback Calculated Property |
| η | 0.0002996 | Pa×s | 466.68 | Joback Calculated Property |
| η | 0.0002394 | Pa×s | 501.07 | Joback Calculated Property |
| η | 0.0001969 | Pa×s | 535.46 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.20 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2,3-dimethoxy-.
Sources
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