- 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-Formylphenol
- 4-Hydroxybenzaldehyde
- 4-Hydroxybenzenecarbonal
- Benzaldehyde, p-hydroxy-
- NSC 2127
- P-HYDROXY BENZALDEHYDE
- Parahydroxybenzaldehyde
- USAF M-6
- p-Formylphenol
- p-Hydroxybenzaldehyde
- p-Oxybenzaldehyde
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -133.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -214.17 | kJ/mol | Joback 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° | 53.19 | kJ/mol | Joback Calculated Property |
| IE | 9.32 ± 0.02 | eV | NIST |
| log10WS | [-0.96; -0.96] |
|
|
| log10WS | -0.96 | Aq. Sol... | |
| log10WS | -0.96 | Estimat... | |
| 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 | |
| I | [2958.00; 2958.00] |
|
|
| I | 2958.00 | NIST | |
| I | 2958.00 | NIST | |
| Tboil | 515.52 | K | Joback Calculated Property |
| Tc | 749.54 | K | Joback Calculated Property |
| Tfus | [387.00; 390.48] | K |
|
| Tfus | 390.48 | K | Aq. Sol... |
| Tfus | 387.00 | K | Measure... |
| Vc | 0.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.64; 242.09] | J/mol×K | [515.52; 749.54] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 200 210 220 230 240 600 700 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 350 400 450 500 | ||||
| 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 | [20.30; 21.60] | kJ/mol | [390.80; 390.80] |
|
| ΔfusH | 20.30 | kJ/mol | 390.80 | NIST |
| ΔfusH | 21.60 | kJ/mol | 390.80 | NIST |
| ΔsubH | [91.20; 101.80] | kJ/mol | [324.00; 332.50] |
|
| ΔsubH | 91.20 | kJ/mol | 324.00 | NIST |
| ΔsubH | 101.80 ± 0.50 | kJ/mol | 332.50 | NIST |
| ΔvapH | 72.30 | kJ/mol | 488.50 | NIST |
| Psub | [1.49e-04; 1.02e-03] | kPa | [324.20; 341.30] |
|
|
T(K) Sublimation pressure (kPa) 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 325 330 335 340 | ||||
| Psub | 1.51e-04 | kPa | 324.20 | Thermod... |
| Psub | 1.49e-04 | kPa | 324.20 | Thermod... |
| Psub | 1.57e-04 | kPa | 324.20 | Thermod... |
| Psub | 1.97e-04 | kPa | 326.16 | Thermod... |
| Psub | 1.93e-04 | kPa | 326.16 | Thermod... |
| Psub | 1.87e-04 | kPa | 326.16 | Thermod... |
| Psub | 2.42e-04 | kPa | 328.31 | Thermod... |
| Psub | 2.52e-04 | kPa | 328.31 | Thermod... |
| Psub | 2.44e-04 | kPa | 328.31 | Thermod... |
| Psub | 3.08e-04 | kPa | 330.18 | Thermod... |
| Psub | 3.03e-04 | kPa | 330.18 | Thermod... |
| Psub | 2.96e-04 | kPa | 330.18 | Thermod... |
| Psub | 3.82e-04 | kPa | 332.16 | Thermod... |
| Psub | 3.75e-04 | kPa | 332.16 | Thermod... |
| Psub | 3.70e-04 | kPa | 332.16 | Thermod... |
| Psub | 4.63e-04 | kPa | 334.18 | Thermod... |
| Psub | 4.72e-04 | kPa | 334.18 | Thermod... |
| Psub | 4.77e-04 | kPa | 334.18 | Thermod... |
| Psub | 6.03e-04 | kPa | 336.22 | Thermod... |
| Psub | 6.02e-04 | kPa | 336.22 | Thermod... |
| Psub | 5.83e-04 | kPa | 336.22 | Thermod... |
| Psub | 7.56e-04 | kPa | 338.34 | Thermod... |
| Psub | 7.38e-04 | kPa | 338.34 | Thermod... |
| Psub | 7.28e-04 | kPa | 338.34 | Thermod... |
| Psub | 9.26e-04 | kPa | 340.17 | Thermod... |
| Psub | 9.05e-04 | kPa | 340.17 | Thermod... |
| Psub | 8.86e-04 | kPa | 340.17 | Thermod... |
| Psub | 1.02e-03 | kPa | 341.30 | Thermod... |
| Psub | 1.01e-03 | kPa | 341.30 | Thermod... |
| Psub | 9.84e-04 | kPa | 341.30 | Thermod... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.10; 4998.66] | kPa | [390.15; 844.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.33034e+01 | |||
| Coefficient B | -1.08755e+04 | |||
| Coefficient C | -6.35445e+00 | |||
| Coefficient D | 1.28665e-06 | |||
| Temperature range, min. | 390.15 | |||
| Temperature range, max. | 844.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 400 600 800 | ||||
| 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
- Carbon dioxide + Benzaldehyde, 3-hydroxy- + Benzaldehyde, 4-hydroxy-
- Norflurane + Benzaldehyde, 4-hydroxy-
- Norflurane + Benzaldehyde, 3-hydroxy- + Benzaldehyde, 4-hydroxy-
- sodium chloride + Benzaldehyde, 4-hydroxy- + Water
- Benzaldehyde, 4-hydroxy- + Water
- 1,4-Benzenedicarboxaldehyde + Ethyl Acetate + Benzaldehyde, 4-hydroxy-
- 1,4-Benzenedicarboxaldehyde + Acetone + Benzaldehyde, 4-hydroxy-
- 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
- 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
- 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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