- 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
- 148-53-8
- Other Names
-
- 2-Hydroxy-3-methoxybenzaldehyde
- 2-Hydroxy-m-anisaldehyde
- 2-Vanillin
- 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-Vanillin
- o-Vanilline
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor 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° | -239.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Influen... |
| ΔvapH° | 58.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.38 | Crippen Calculated Property | |
| logPoct/wat | 1.213 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback 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 |
| Tc | 793.56 | K | Joback Calculated Property |
| Tfus | 394.81 | K | Joback Calculated Property |
| Vc | 0.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.74; 309.32] | J/mol×K | [565.80; 793.56] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 270 280 290 300 310 600 650 700 750 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 400 450 500 550 | ||||
| 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 | 480.30 | 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 Yaw...
|
| 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 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 | ||||
| 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
- 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
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