- 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
- 166.17
- CAS
- 121-32-4
- Other Names
-
- 2-Ethoxy-4-formylphenol
- 3-Ethoxy-4-hydroxybenzadehyde (ethyl vanillin)
- 3-Ethoxy-4-hydroxybenzaldehyde
- 4-Hydroxy-3-ethoxybenzaldehyde
- Benzaldehyde, 3-ethoxy-4-hydroxy-
- 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
- Vanillal
- Vanillin, ethyl-
- Vanirom
- ω : Acentric Factor.
- 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).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6482 | Relay (1.0) Calculated Property | |
| ΔfG° | -231.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.33 | kJ/mol | Relay (1.0) Calculated Property |
| 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 |
| IE | 8.57 | eV | 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 |
| Pc | 4109.14 | kPa | Joback 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 | |
| Inp | 1448.00 | NIST | |
| I | [2414.00; 2514.00] |
|
|
| I | 2514.00 | NIST | |
| I | 2414.00 | NIST | |
| I | 2514.00 | NIST | |
| Tboil | 546.13 | K | Relay (1.0) Calculated Property |
| Tc | 785.33 | K | Relay (1.0) Calculated Property |
| Tfus | [350.40; 352.98] | K |
|
| Tfus | 350.40 | K | Aq. Solubility Prediction |
| 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 |
| Vc | 0.451 | m3/kmol | Relay (1.0) Calculated Property |
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 Ethyl Vanillin.
Mixtures
- Carbon dioxide + Ethyl Vanillin
- Ethyl Vanillin + Methyl Alcohol
- Ethanol + Ethyl Vanillin
- 1-Propanol + Ethyl Vanillin
- Isopropyl Alcohol + Ethyl Vanillin
- Acetonitrile + Ethyl Vanillin
- Acetone + Ethyl Vanillin
- Ethyl Vanillin + Acetic acid, methyl ester
- Ethyl Vanillin + Ethyl Acetate
- Acetone + Ethyl Vanillin + Water
- Ethyl Vanillin + Methyl Alcohol + Water
- Ethanol + Ethyl Vanillin + Water
- Isopropyl Alcohol + Ethyl Vanillin + Water
- 1-Butanol + Ethyl Vanillin
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- 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
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.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.