- 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° | -378.06 | 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° | 23.85 | 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° | 101.78 | 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 | 5730.52 | 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 | |
| S°solid,1 bar | 175.70 | J/mol×K | NIST |
| Tboil | 566.31 | K | Relay (1.0) Calculated Property |
| Tc | 820.18 | 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 | 0.338 | 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
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