- InChI
- InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-9)8(7)10/h2-5,10H,1H3
- InChI Key
- JJVNINGBHGBWJH-UHFFFAOYSA-N
- Formula
- C8H8O3
- SMILES
- COc1cccc(C=O)c1O
- Molecular Weight1
- 152.15
- CAS
- 121-33-5
- Other Names
-
- 2-Hydroxy-m-anisaldehyde
- 2-Vanillin
- 2-hydroxy-3-methoxybenzaldehyde
- 3-Methoxy-2-hydroxybenzaldehyde
- 3-methoxysalicylaldehyde
- 6-Formyl-2-methoxyphenol
- 6-Formylguaiacol
- NSC 2150
- Ortho vanillin
- Orthovanilline
- Oxy-2 methoxy-3 benzaldehyde
- Vanillin
- m-Anisaldehyde, 2-hydroxy-
- o-Vanilline
- o-vanillin
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -384.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Influence of the aromatic ring substituents on phase equilibria of vanillins in binary systems with CO2 |
| ΔvapH° | 77.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.213 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Inp | [1330.50; 1367.00] |
|
|
| Inp | 1330.50 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Tboil | 538.70 | K | NIST |
| Tfus | 338.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.74; 309.32] | J/mol×K | [565.80; 793.56] |
|
| Cp,gas | 259.74 | J/mol×K | 565.80 | Joback Calculated Property |
| Cp,gas | 269.43 | J/mol×K | 603.76 | Joback Calculated Property |
| Cp,gas | 278.48 | J/mol×K | 641.72 | Joback Calculated Property |
| Cp,gas | 286.94 | J/mol×K | 679.68 | Joback Calculated Property |
| Cp,gas | 294.87 | J/mol×K | 717.64 | Joback Calculated Property |
| Cp,gas | 302.31 | J/mol×K | 755.60 | Joback Calculated Property |
| Cp,gas | 309.32 | J/mol×K | 793.56 | Joback Calculated Property |
| η | [0.0000536; 0.0010401] | Pa×s | [394.81; 565.80] |
|
| η | 0.0010401 | Pa×s | 394.81 | Joback Calculated Property |
| η | 0.0005373 | Pa×s | 423.31 | Joback Calculated Property |
| η | 0.0003017 | Pa×s | 451.81 | Joback Calculated Property |
| η | 0.0001814 | Pa×s | 480.31 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 508.80 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 537.30 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 565.80 | Joback Calculated Property |
| ΔsubH | 54.10 | kJ/mol | 292.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 401.20 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [431.70; 587.73] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59856e+01 | |||
| Coefficient B | -5.20398e+03 | |||
| Coefficient C | -1.00196e+02 | |||
| Temperature range, min. | 431.70 | |||
| Temperature range, max. | 587.73 | |||
| Pvap | 1.33 | kPa | 431.70 | Calculated Property |
| Pvap | 2.91 | kPa | 449.04 | Calculated Property |
| Pvap | 5.89 | kPa | 466.37 | Calculated Property |
| Pvap | 11.21 | kPa | 483.71 | Calculated Property |
| Pvap | 20.15 | kPa | 501.05 | Calculated Property |
| Pvap | 34.52 | kPa | 518.38 | Calculated Property |
| Pvap | 56.65 | kPa | 535.72 | Calculated Property |
| Pvap | 89.50 | kPa | 553.06 | Calculated Property |
| Pvap | 136.72 | kPa | 570.39 | Calculated Property |
| Pvap | 202.65 | kPa | 587.73 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-hydroxy-3-methoxy-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Influence of the aromatic ring substituents on phase equilibria of vanillins in binary systems with CO2
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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