- 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.
- Ip : 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
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 |
|---|---|---|---|---|
| ΔfusH | 23.10 | kJ/mol | 349.80 | NIST |
| ΔsubH | 101.50 | kJ/mol | 317.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.90; 393.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 3.08100e+00 | |||
| Coefficient B | 7.86320e-01 | |||
| Coefficient C | -5.68320e-04 | |||
| Coefficient D | 1.72700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.78 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 251.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 281.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.45 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 328.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 347.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 364.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.81 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 393.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041167; 0.0000547] | Pa×s | [351.19; 568.72] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.67900e+01 | |||
| Coefficient B | 3.96754e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 351.19 | |||
| Temperature range, max. | 568.72 | |||
| η | 0.0041167 | Pa×s | 351.19 | Calculated Property |
| η | 0.0019890 | Pa×s | 375.36 | Calculated Property |
| η | 0.0010494 | Pa×s | 399.53 | Calculated Property |
| η | 0.0005956 | Pa×s | 423.70 | Calculated Property |
| η | 0.0003593 | Pa×s | 447.87 | Calculated Property |
| η | 0.0002283 | Pa×s | 472.04 | Calculated Property |
| η | 0.0001516 | Pa×s | 496.21 | Calculated Property |
| η | 0.0001046 | Pa×s | 520.38 | Calculated Property |
| η | 0.0000746 | Pa×s | 544.55 | Calculated Property |
| η | 0.0000547 | Pa×s | 568.72 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.57e-03; 3234.93] | kPa | [350.65; 748.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.75341e+02 | |||
| Coefficient B | -1.86800e+04 | |||
| Coefficient C | -2.20762e+01 | |||
| Coefficient D | 6.79415e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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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