- InChI
- InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
- InChI Key
- RGHHSNMVTDWUBI-UHFFFAOYSA-N
- Formula
- C7H6O2
- SMILES
- O=Cc1ccc(O)cc1
- Molecular Weight1
- 122.12
- CAS
- 123-08-0
- Other Names
-
- 4-Hydroxybenzenecarbonal
- 4-formylphenol
- 4-hydroxybenzaldehyde
- NSC 2127
- P-HYDROXY BENZALDEHYDE
- USAF M-6
- benzaldehyde, p-hydroxy-
- p-formylphenol
- p-hydroxybenzaldehyde
- p-oxybenzaldehyde
- parahydroxybenzaldehyde
- 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 standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Pc : Critical Pressure (kPa).
- Psub : Sublimation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5580 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -223.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.00 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [98.20; 102.50] | kJ/mol |
|
| ΔsubH° | 102.50 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 99.70 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 98.20 ± 1.30 | kJ/mol | NIST |
| ΔvapH° | 70.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 ± 0.02 | eV | NIST |
| log10WS | [-0.96; -0.96] |
|
|
| log10WS | -0.96 | Aq. Solubility Prediction | |
| log10WS | -0.96 | Estimated Solubility | |
| logPoct/wat | 1.205 | Crippen Calculated Property | |
| McVol | 93.170 | ml/mol | McGowan Calculated Property |
| Pc | 5602.57 | kPa | Joback Calculated Property |
| Inp | [1302.00; 1324.00] |
|
|
| Inp | 1318.60 | NIST | |
| Inp | 1320.80 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | Outlier 1302.00 | NIST | |
| Inp | 1311.00 | NIST | |
| Inp | 1317.00 | NIST | |
| Inp | 1324.00 | NIST | |
| Inp | 1308.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1318.60 | NIST | |
| Inp | Outlier 1302.00 | NIST | |
| I | [2958.00; 2958.00] |
|
|
| I | 2958.00 | NIST | |
| I | 2958.00 | NIST | |
| Tboil | 530.64 | K | Relay (1.0) Calculated Property |
| Tc | 786.50 | K | Relay (1.0) Calculated Property |
| Tfus | [387.00; 390.48] | K |
|
| Tfus | 387.00 | K | Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide |
| Tfus | 390.20 | K | Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes |
| Tfus | 390.48 | K | Aq. Solubility Prediction |
Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.10; 4998.66] | kPa | [390.15; 844.00] |
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 | 6.33034e+01 | |||
| Coefficient B | -1.08755e+04 | |||
| Coefficient C | -6.35445e+00 | |||
| Coefficient D | 1.28665e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 390.15 | |||
| Temperature range, max. | 844.00 | |||
| Pvap | 0.10 | kPa | 390.15 | Calculated Property |
| Pvap | 1.20 | kPa | 440.58 | Calculated Property |
| Pvap | 8.08 | kPa | 491.01 | Calculated Property |
| Pvap | 36.51 | kPa | 541.43 | Calculated Property |
| Pvap | 123.56 | kPa | 591.86 | Calculated Property |
| Pvap | 336.94 | kPa | 642.29 | Calculated Property |
| Pvap | 779.67 | kPa | 692.72 | Calculated Property |
| Pvap | 1589.01 | kPa | 743.14 | Calculated Property |
| Pvap | 2931.68 | kPa | 793.57 | Calculated Property |
| Pvap | 4998.66 | kPa | 844.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 4-hydroxy-.
Mixtures
- Norflurane + Benzaldehyde, 4-hydroxy-
- Norflurane + Benzaldehyde, 3-hydroxy- + Benzaldehyde, 4-hydroxy-
- Carbon dioxide + Benzaldehyde, 3-hydroxy- + Benzaldehyde, 4-hydroxy-
- Terephthalaldehyde + Ethyl Acetate + Benzaldehyde, 4-hydroxy-
- Terephthalaldehyde + Acetone + Benzaldehyde, 4-hydroxy-
- sodium chloride + Benzaldehyde, 4-hydroxy- + Water
- Benzaldehyde, 4-hydroxy- + Water
- Carbon dioxide + Benzaldehyde, 4-hydroxy-
- Carbon dioxide + Ethanol + Benzaldehyde, 4-hydroxy-
- Carbon dioxide + Ethyl Acetate + Benzaldehyde, 4-hydroxy-
- Carbon dioxide + Acetone + Benzaldehyde, 4-hydroxy-
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Measurement and modeling for solubility of 3-hydroxybenzaldehyde and its mixture with 4-hydroxybenzaldehyde in supercritical carbon dioxide
- Thermodynamic study on hydroxybenzaldehyde derivatives: 3- and 4-Hydroxybenzaldehyde isomers and 3,5-di-tert-butyl-2-hydroxybenzaldehyde
- Solubilities of hydroxybenzaldehyde isomers and their mixture in subcritical 1,1,1,2-tetrafluoroethane
- Thermodynamic Difference between Protocatechualdehyde and p-Hydroxybenzaldehyde in Aqueous Sodium Chloride Solutions
- Vapor Pressures and Gibbs Energies of Formation of the Three Hydroxybenzaldehydes
- Determination and Modeling of Solid-Liquid Equilibrium for Ternary Systems of Terephthaldialdehyde + 4-Hydroxybenzaldehyde + Ethyl Acetate/Acetone
- Solubility of 4-Hydroxybenzaldehyde in Supercritical Carbon Dioxide with and without Cosolvents
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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