- InChI
- InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
- InChI Key
- FJKROLUGYXJWQN-UHFFFAOYSA-N
- Formula
- C7H6O3
- SMILES
- O=C(O)c1ccc(O)cc1
- Molecular Weight1
- 138.12
- CAS
- 99-96-7
- Other Names
-
- 4-carboxyphenol
- Benzoic acid, 4-hydroxy-
- p-hydroxybenzoic acid
- p-salicylic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfH°solid : Solid phase 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).
- 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).
- Inp : Non-polar retention indices.
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-3017.60; -3005.40] | kJ/mol |
|
| ΔcH°solid | -3005.40 ± 2.10 | kJ/mol | NIST |
| ΔcH°solid | -3017.60 ± 0.50 | kJ/mol | NIST |
| ΔfG° | -299.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-492.60; -480.50] | kJ/mol |
|
| ΔfH°gas | -492.60 ± 2.20 | kJ/mol | NIST |
| ΔfH°gas | -480.50 | kJ/mol | NIST |
| ΔfH°solid | [-606.60; -594.50] | kJ/mol |
|
| ΔfH°solid | -606.60 ± 2.10 | kJ/mol | NIST |
| ΔfH°solid | -594.50 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 19.40 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [114.00; 117.00] | kJ/mol |
|
| ΔsubH° | 117.00 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 114.05 ± 0.69 | kJ/mol | NIST |
| ΔsubH° | 114.00 | kJ/mol | NIST |
| ΔsubH° | 114.10 ± 0.70 | kJ/mol | NIST |
| ΔsubH° | 116.10 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 69.89 | kJ/mol | Joback Calculated Property |
| IE | 9.20 ± 0.20 | eV | NIST |
| log10WS | -1.42 | Aq. Sol... | |
| logPoct/wat | 1.090 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 6349.11 | kPa | Joback Calculated Property |
| Inp | [1537.70; 1577.00] |
|
|
| Inp | 1537.70 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Inp | 1577.00 | NIST | |
| S°solid,1 bar | 175.70 | J/mol×K | NIST |
| Tboil | 612.91 | K | Joback Calculated Property |
| Tc | 833.23 | K | Joback Calculated Property |
| Tfus | [486.00; 489.35] | K |
|
| Tfus | 488.40 | K | Aq. Sol... |
| Tfus | 488.10 ± 0.50 | K | NIST |
| Tfus | 489.00 ± 1.00 | K | NIST |
| Tfus | 489.35 ± 0.70 | K | NIST |
| Tfus | 486.00 ± 4.00 | K | NIST |
| Vc | 0.310 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.10; 269.96] | J/mol×K | [612.91; 833.23] |
|
| Cp,gas | 233.10 | J/mol×K | 612.91 | Joback Calculated Property |
| Cp,gas | 240.40 | J/mol×K | 649.63 | Joback Calculated Property |
| Cp,gas | 247.14 | J/mol×K | 686.35 | Joback Calculated Property |
| Cp,gas | 253.40 | J/mol×K | 723.07 | Joback Calculated Property |
| Cp,gas | 259.25 | J/mol×K | 759.79 | Joback Calculated Property |
| Cp,gas | 264.74 | J/mol×K | 796.51 | Joback Calculated Property |
| Cp,gas | 269.96 | J/mol×K | 833.23 | Joback Calculated Property |
| Cp,solid | [138.90; 218.20] | J/mol×K | [280.80; 460.70] |
|
| Cp,solid | 138.90 | J/mol×K | 280.80 | Determi... |
| Cp,solid | 155.20 | J/mol×K | 283.80 | NIST |
| Cp,solid | 141.30 | J/mol×K | 285.80 | Determi... |
| Cp,solid | 143.50 | J/mol×K | 290.80 | Determi... |
| Cp,solid | 145.70 | J/mol×K | 295.80 | Determi... |
| Cp,solid | 148.00 | J/mol×K | 300.70 | Determi... |
| Cp,solid | 149.70 | J/mol×K | 305.80 | Determi... |
| Cp,solid | 151.80 | J/mol×K | 310.80 | Determi... |
| Cp,solid | 154.60 | J/mol×K | 315.80 | Determi... |
| Cp,solid | 156.40 | J/mol×K | 320.80 | Determi... |
| Cp,solid | 158.70 | J/mol×K | 325.80 | Determi... |
| Cp,solid | 161.40 | J/mol×K | 330.80 | Determi... |
| Cp,solid | 163.80 | J/mol×K | 335.80 | Determi... |
| Cp,solid | 166.30 | J/mol×K | 340.80 | Determi... |
| Cp,solid | 168.60 | J/mol×K | 345.80 | Determi... |
| Cp,solid | 171.10 | J/mol×K | 350.80 | Determi... |
| Cp,solid | 173.40 | J/mol×K | 355.80 | Determi... |
| Cp,solid | 175.50 | J/mol×K | 360.80 | Determi... |
| Cp,solid | 177.80 | J/mol×K | 365.70 | Determi... |
| Cp,solid | 180.00 | J/mol×K | 370.70 | Determi... |
| Cp,solid | 182.00 | J/mol×K | 375.70 | Determi... |
| Cp,solid | 184.40 | J/mol×K | 380.80 | Determi... |
| Cp,solid | 186.70 | J/mol×K | 385.80 | Determi... |
| Cp,solid | 188.90 | J/mol×K | 390.80 | Determi... |
| Cp,solid | 191.00 | J/mol×K | 395.80 | Determi... |
| Cp,solid | 193.10 | J/mol×K | 400.80 | Determi... |
| Cp,solid | 195.10 | J/mol×K | 405.80 | Determi... |
| Cp,solid | 197.00 | J/mol×K | 410.80 | Determi... |
| Cp,solid | 198.70 | J/mol×K | 415.80 | Determi... |
| Cp,solid | 200.40 | J/mol×K | 420.80 | Determi... |
| Cp,solid | 202.20 | J/mol×K | 425.80 | Determi... |
| Cp,solid | 204.50 | J/mol×K | 430.80 | Determi... |
| Cp,solid | 207.10 | J/mol×K | 435.80 | Determi... |
| Cp,solid | 209.50 | J/mol×K | 440.80 | Determi... |
| Cp,solid | 211.60 | J/mol×K | 445.80 | Determi... |
| Cp,solid | 213.80 | J/mol×K | 450.80 | Determi... |
| Cp,solid | 215.90 | J/mol×K | 455.80 | Determi... |
| Cp,solid | 218.20 | J/mol×K | 460.70 | Determi... |
| η | [0.0000161; 0.0010587] | Pa×s | [417.54; 612.91] |
|
| η | 0.0010587 | Pa×s | 417.54 | Joback Calculated Property |
| η | 0.0004096 | Pa×s | 450.10 | Joback Calculated Property |
| η | 0.0001801 | Pa×s | 482.66 | Joback Calculated Property |
| η | 0.0000879 | Pa×s | 515.23 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 547.79 | Joback Calculated Property |
| η | 0.0000266 | Pa×s | 580.35 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 612.91 | Joback Calculated Property |
| ΔfusH | [30.85; 32.00] | kJ/mol | [487.20; 489.00] |
|
| ΔfusH | 31.40 | kJ/mol | 487.20 | NIST |
| ΔfusH | 32.00 | kJ/mol | 488.00 | NIST |
| ΔfusH | 30.90 | kJ/mol | 488.10 | NIST |
| ΔfusH | 30.90 | kJ/mol | 488.10 | NIST |
| ΔfusH | 30.85 | kJ/mol | 489.00 | NIST |
| ΔsubH | [112.40; 116.30] | kJ/mol | [363.00; 415.50] |
|
| ΔsubH | 112.40 ± 0.70 | kJ/mol | 363.00 | NIST |
| ΔsubH | 116.30 | kJ/mol | 415.50 | NIST |
Similar Compounds
Find more compounds similar to 4-hydroxybenzoic acid.
Mixtures
Sources
- Crippen Method
- The effect of temperature on the solubility of benzoic acid derivatives in water
- Determination of the activity of a molecular solute in saturated solution
- Solubilities of Benzoic Acid, p-Methylbenzoic Acid, m-Methylbenzoic Acid, o-Methylbenzoic Acid, p-Hydroxybenzoic Acid, and o-Nitrobenzoic Acid in 1-Octanol
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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