- InChI
- InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3
- InChI Key
- CBOQJANXLMLOSS-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- CCOc1cc(C=O)ccc1O
- Molecular Weight1
- 166.18
- CAS
- 121-32-4
- Other Names
-
- 2-ethoxy-4-formylphenol
- 3-Ethoxy-4-hydroxybenzadehyde (ethyl vanillin)
- 4-hydroxy-3-ethoxybenzaldehyde
- Bourbonal
- Ethavan
- Ethovan
- Ethylprotal
- Ethylprotocatechualdehyde-3-ethyl ether
- Ethylprotocatechuic aldehyde
- NSC 1803
- Protocatechuic aldehyde 3-ethyl ether
- Protocatechuic aldehyde ethyl ether
- Quantrovanil
- Rhodiarome
- Vanbeenol
- Vanilal
- Vanillin, ethyl-
- Vanirom
- benzaldehyde, 3-ethoxy-4-hydroxy-
- ethyl vanillin
- vanillal
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔfusH° | 25.34 | kJ/mol | Influence of the aromatic ring substituents on phase equilibria of vanillins in binary systems with CO2 |
| ΔvapH° | 73.05 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Aq. Solubility Prediction | |
| logPoct/wat | 1.603 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Inp | [1433.00; 1453.00] |
|
|
| Inp | Outlier 1433.00 | NIST | |
| Inp | 1452.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1453.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Inp | 1448.00 | NIST | |
| I | [2414.00; 2514.00] |
|
|
| I | 2514.00 | NIST | |
| I | 2414.00 | NIST | |
| Tboil | 546.13 | K | Relay (1.0) Calculated Property |
| Tfus | [350.40; 352.98] | K |
|
| Tfus | 352.98 | K | Solid-liquid phase equilibrium and dissolution properties of ethyl vanillin in pure solvents |
| Tfus | 351.00 | K | Determination and Correlation of Ethyl Vanillin Solubility in Different Binary Solvents at Temperatures from 273.15 to 313.15 K |
| Tfus | 350.40 | K | Aq. Solubility Prediction |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 | [304.26; 359.35] | J/mol×K | [588.68; 812.18] |
|
| Cp,gas | 304.26 | J/mol×K | 588.68 | Joback Calculated Property |
| Cp,gas | 314.95 | J/mol×K | 625.93 | Joback Calculated Property |
| Cp,gas | 324.97 | J/mol×K | 663.18 | Joback Calculated Property |
| Cp,gas | 334.37 | J/mol×K | 700.43 | Joback Calculated Property |
| Cp,gas | 343.20 | J/mol×K | 737.68 | Joback Calculated Property |
| Cp,gas | 351.51 | J/mol×K | 774.93 | Joback Calculated Property |
| Cp,gas | 359.35 | J/mol×K | 812.18 | Joback Calculated Property |
| η | [0.0000432; 0.0008942] | Pa×s | [406.08; 588.68] |
|
| η | 0.0008942 | Pa×s | 406.08 | Joback Calculated Property |
| η | 0.0004525 | Pa×s | 436.51 | Joback Calculated Property |
| η | 0.0002502 | Pa×s | 466.95 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 497.38 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 527.81 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 558.25 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 588.68 | Joback Calculated Property |
| ΔfusH | 23.10 | kJ/mol | 349.80 | NIST |
| ΔsubH | 101.50 | kJ/mol | 317.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.57e-03; 3234.93] | kPa | [350.65; 748.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.75341e+02 | |||
| Coefficient B | -1.86800e+04 | |||
| Coefficient C | -2.20762e+01 | |||
| Coefficient D | 6.79415e-06 | |||
| Temperature range, min. | 350.65 | |||
| Temperature range, max. | 748.00 | |||
| Pvap | 1.57e-03 | kPa | 350.65 | Calculated Property |
| Pvap | 0.06 | kPa | 394.80 | Calculated Property |
| Pvap | 0.80 | kPa | 438.95 | Calculated Property |
| Pvap | 6.19 | kPa | 483.10 | Calculated Property |
| Pvap | 31.00 | kPa | 527.25 | Calculated Property |
| Pvap | 112.81 | kPa | 571.40 | Calculated Property |
| Pvap | 324.90 | kPa | 615.55 | Calculated Property |
| Pvap | 786.65 | kPa | 659.70 | Calculated Property |
| Pvap | 1673.79 | kPa | 703.85 | Calculated Property |
| Pvap | 3234.93 | kPa | 748.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-ETHOXY-4-HYDROXYBENZALDEHYDE.
Mixtures
- 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Methyl Alcohol
- Ethanol + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- 1-Propanol + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- 2-Propanol + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- Acetonitrile + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- Acetone + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Acetic acid, methyl ester
- 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Ethyl Acetate
- Carbon dioxide + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- 1-Butanol + 3-ETHOXY-4-HYDROXYBENZALDEHYDE
- Acetone + 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Water
- 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Methyl Alcohol + Water
- Ethanol + 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Water
- 2-Propanol + 3-ETHOXY-4-HYDROXYBENZALDEHYDE + Water
Sources
- KDB Vapor Pressure Data
- 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
- Influence of the aromatic ring substituents on phase equilibria of vanillins in binary systems with CO2
- Solid-liquid phase equilibrium and dissolution properties of ethyl vanillin in pure solvents
- Determination and Correlation of Ethyl Vanillin Solubility in Different Binary Solvents at Temperatures from 273.15 to 313.15 K
- Vapor-Liquid Equilibrium Behaviors of 3-Ethoxy-4-hydroxybenzaldehyde in Alcohol
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.