- InChI
- InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
- InChI Key
- UIAFKZKHHVMJGS-UHFFFAOYSA-N
- Formula
- C7H6O4
- SMILES
- O=C(O)c1ccc(O)cc1O
- Molecular Weight1
- 154.12
- CAS
- 89-86-1
- Other Names
-
- .beta.-resorcinolic acid
- .beta.-resorcylic acid
- 2,4-Dhba
- 2,4-dihydroxybenzoic acid
- 4-carboxyresorcinol
- 4-hydroxysalicylic acid
- BRA
- Coupler 320
- NSC 13564
- Resorcylic acid, «beta»
- benzoic acid, 2,4-dihydroxy-
- p-hydroxysalicylic acid
- «beta»-Resorcinolic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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).
- Psub : Sublimation pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 |
|---|---|---|---|
| ΔfH°gas | -661.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.00 | kJ/mol | Thermochemical study of 2,4-, 2,6- and 3,4-dihydroxybenzoic acids in the liquid phase using a TG apparatus |
| ΔsubH° | 126.40 ± 0.80 | kJ/mol | NIST |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.796 | Crippen Calculated Property | |
| McVol | 104.910 | ml/mol | McGowan Calculated Property |
| Inp | [1532.00; 1532.00] |
|
|
| Inp | 1532.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Tboil | 570.17 | K | Relay (1.0) Calculated Property |
| Tfus | 492.00 ± 4.00 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.12; 317.56] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.06200e+01 | |||
| Coefficient B | 9.49900e-01 | |||
| Coefficient C | -9.73520e-04 | |||
| Coefficient D | 3.91800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 180.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 233.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 267.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 280.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 292.38 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 304.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 317.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001331; 0.0000039] | Pa×s | [492.00; 661.15] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -2.27403e+01 | |||
| Coefficient B | 6.79748e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 492.00 | |||
| Temperature range, max. | 661.15 | |||
| η | 0.0001331 | Pa×s | 492.00 | Calculated Property |
| η | 0.0000801 | Pa×s | 510.79 | Calculated Property |
| η | 0.0000499 | Pa×s | 529.59 | Calculated Property |
| η | 0.0000322 | Pa×s | 548.38 | Calculated Property |
| η | 0.0000213 | Pa×s | 567.18 | Calculated Property |
| η | 0.0000145 | Pa×s | 585.97 | Calculated Property |
| η | 0.0000101 | Pa×s | 604.77 | Calculated Property |
| η | 0.0000072 | Pa×s | 623.56 | Calculated Property |
| η | 0.0000052 | Pa×s | 642.36 | Calculated Property |
| η | 0.0000039 | Pa×s | 661.15 | Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Resorcylic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Thermochemical study of 2,4-, 2,6- and 3,4-dihydroxybenzoic acids in the liquid phase using a TG apparatus
- Vapor Pressures and Enthalpies of Combustion of the Dihydroxybenzoic Acid Isomers
- Joback Method
- McGowan Method
- NIST Webbook
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