- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.7495 | Relay (1.0) Calculated Property | |
| 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° | 103.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 ± 0.20 | eV | NIST |
| log10WS | -1.42 | Aq. Solubility Prediction | |
| 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 | 566.31 | K | Relay (1.0) Calculated Property |
| Tc | 821.17 | K | Relay (1.0) Calculated Property |
| Tfus | [486.00; 489.35] | K |
|
| Tfus | 488.40 | K | Aq. Solubility Prediction |
| 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 | 0.337 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to 4-hydroxybenzoic acid.
Mixtures
Sources
- Cheméo Relay (1.0)
- 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
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.