- InChI
- InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
- InChI Key
- SMQUZDBALVYZAC-UHFFFAOYSA-N
- Formula
- C7H6O2
- SMILES
- O=Cc1ccccc1O
- Molecular Weight1
- 122.12
- CAS
- 90-02-8
- Other Names
-
- 2-Formylphenol
- 2-Hydroxy benzaldehyde (salicylaldehyde)
- 2-hydroxybenzaldehyde
- Benzaldehyde, o-hydroxy-
- NSC 49178
- SAH
- Salicylal
- Salicylaldehyde (2-hydroxybenzaldehyde)
- Salicylic aldehyde
- o-Formylphenol
- o-Hydroxybenzaldehyde
- salicylaldehyde
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -239.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [50.40; 53.30] | kJ/mol |
|
| ΔvapH° | 53.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 50.40 ± 1.30 | kJ/mol | NIST |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.86 | Aq. Solubility Prediction | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 2 | KDB | |
| Inp | [1003.00; 1074.00] |
|
|
| Inp | 1008.00 | NIST | |
| Inp | 1041.40 | NIST | |
| Inp | 1047.60 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1074.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1029.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1026.00 | NIST | |
| Inp | 1031.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1046.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1063.00 | NIST | |
| Inp | 1040.00 | NIST | |
| Inp | 1041.30 | NIST | |
| Inp | 1048.00 | NIST | |
| Inp | 1041.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1008.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1033.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1045.00 | NIST | |
| Inp | 1062.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1013.00 | NIST | |
| Inp | 1072.00 | NIST | |
| I | [1628.00; 1705.00] |
|
|
| I | 1699.00 | NIST | |
| I | 1636.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1633.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1704.00 | NIST | |
| I | 1658.00 | NIST | |
| I | 1663.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1674.00 | NIST | |
| I | 1652.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1701.00 | NIST | |
| I | Outlier 1628.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1669.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1675.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1682.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1689.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1667.00 | NIST | |
| I | 1665.00 | NIST | |
| I | Outlier 1628.00 | NIST | |
| I | 1677.00 | NIST | |
| I | 1670.00 | NIST | |
| I | 1665.00 | NIST | |
| I | 1680.00 | NIST | |
| I | 1633.00 | NIST | |
| I | 1674.00 | NIST | |
| Tboil | [470.15; 470.20] | K |
|
| Tboil | 470.20 | K | NIST |
| Tboil | 470.15 ± 1.00 | K | NIST |
| Tc | 790.07 | K | Relay (1.0) Calculated Property |
| Tfus | [269.65; 272.30] | K |
|
| Tfus | 272.30 | K | Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes |
| Tfus | 269.65 | K | Aq. Solubility Prediction |
Cheméo can also estimate 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 | [197.64; 242.09] | J/mol×K | [515.52; 749.54] |
|
| Cp,gas | 197.64 | J/mol×K | 515.52 | Joback Calculated Property |
| Cp,gas | 206.73 | J/mol×K | 554.52 | Joback Calculated Property |
| Cp,gas | 215.05 | J/mol×K | 593.53 | Joback Calculated Property |
| Cp,gas | 222.66 | J/mol×K | 632.53 | Joback Calculated Property |
| Cp,gas | 229.65 | J/mol×K | 671.53 | Joback Calculated Property |
| Cp,gas | 236.10 | J/mol×K | 710.54 | Joback Calculated Property |
| Cp,gas | 242.09 | J/mol×K | 749.54 | Joback Calculated Property |
| η | [0.0000996; 0.0031017] | Pa×s | [348.79; 515.52] |
|
| η | 0.0031017 | Pa×s | 348.79 | Joback Calculated Property |
| η | 0.0014153 | Pa×s | 376.58 | Joback Calculated Property |
| η | 0.0007194 | Pa×s | 404.37 | Joback Calculated Property |
| η | 0.0003989 | Pa×s | 432.15 | Joback Calculated Property |
| η | 0.0002375 | Pa×s | 459.94 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 487.73 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 515.52 | Joback Calculated Property |
| ΔfusH | 13.30 | kJ/mol | 278.70 | NIST |
| ΔvapH | [30.60; 63.30] | kJ/mol | [298.15; 426.50] |
|
| ΔvapH | 63.30 | kJ/mol | 298.15 | Thermochemical studies on salicylaldehyde and salicylamide |
| ΔvapH | 49.60 | kJ/mol | 388.00 | NIST |
| ΔvapH | 30.60 | kJ/mol | 426.50 | NIST |
| ρl | 1162.50 | kg/m3 | 298.15 | Liquid-liquid equilibria for (2-hydroxy benzaldehyde + n-alkane) mixtures. Intermolecular and proximity effects in systems containing hydroxyl and aldehyde groups |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [350.11; 497.57] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.71544e+01 | |||
| Coefficient B | -5.86328e+03 | |||
| Coefficient C | -2.48700e+00 | |||
| Temperature range, min. | 350.11 | |||
| Temperature range, max. | 497.57 | |||
| Pvap | 1.33 | kPa | 350.11 | Calculated Property |
| Pvap | 2.85 | kPa | 366.49 | Calculated Property |
| Pvap | 5.70 | kPa | 382.88 | Calculated Property |
| Pvap | 10.77 | kPa | 399.26 | Calculated Property |
| Pvap | 19.36 | kPa | 415.65 | Calculated Property |
| Pvap | 33.26 | kPa | 432.03 | Calculated Property |
| Pvap | 54.92 | kPa | 448.42 | Calculated Property |
| Pvap | 87.53 | kPa | 464.80 | Calculated Property |
| Pvap | 135.10 | kPa | 481.19 | Calculated Property |
| Pvap | 202.63 | kPa | 497.57 | Calculated Property |
| Pvap | [6.53e-03; 4990.01] | kPa | [266.15; 680.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.31045e+01 | |||
| Coefficient B | -8.28909e+03 | |||
| Coefficient C | -8.49841e+00 | |||
| Coefficient D | 6.54847e-06 | |||
| Temperature range, min. | 266.15 | |||
| Temperature range, max. | 680.00 | |||
| Pvap | 6.53e-03 | kPa | 266.15 | Calculated Property |
| Pvap | 0.20 | kPa | 312.13 | Calculated Property |
| Pvap | 2.27 | kPa | 358.12 | Calculated Property |
| Pvap | 14.25 | kPa | 404.10 | Calculated Property |
| Pvap | 59.96 | kPa | 450.08 | Calculated Property |
| Pvap | 192.31 | kPa | 496.07 | Calculated Property |
| Pvap | 510.73 | kPa | 542.05 | Calculated Property |
| Pvap | 1187.94 | kPa | 588.03 | Calculated Property |
| Pvap | 2516.09 | kPa | 634.02 | Calculated Property |
| Pvap | 4990.01 | kPa | 680.00 | Calculated Property |
Similar Compounds
Find more compounds similar to BENZALDEHYDE, 2-HYDROXY-.
Mixtures
- Heptane + BENZALDEHYDE, 2-HYDROXY-
- Octane + BENZALDEHYDE, 2-HYDROXY-
- BENZALDEHYDE, 2-HYDROXY- + Nonane
- Decane + BENZALDEHYDE, 2-HYDROXY-
- Undecane + BENZALDEHYDE, 2-HYDROXY-
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
- Thermochemical studies on salicylaldehyde and salicylamide
- Liquid-liquid equilibria for (2-hydroxy benzaldehyde + n-alkane) mixtures. Intermolecular and proximity effects in systems containing hydroxyl and aldehyde groups
- Thermochemical study on the Schiff base[H2salen = N,N -bis(salicylidene) ethylendiamine] and its binuclearcopper (II) complex
- Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
- Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.