- InChI
- InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
- InChI Key
- IJFXRHURBJZNAO-UHFFFAOYSA-N
- Formula
- C7H6O3
- SMILES
- O=C(O)c1cccc(O)c1
- Molecular Weight1
- 138.12
- CAS
- 99-06-9
- Other Names
-
- 3-carboxyphenol
- benzoic acid, 3-hydroxy-
- m-hydroxybenzoic acid
- m-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 | [-3021.60; -3017.90] | kJ/mol |
|
| ΔcH°solid | -3017.90 ± 1.10 | kJ/mol | NIST |
| ΔcH°solid | -3021.60 ± 0.40 | kJ/mol | NIST |
| ΔfG° | -299.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-469.10; -465.50] | kJ/mol |
|
| ΔfH°gas | -469.10 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | -465.50 | kJ/mol | NIST |
| ΔfH°solid | [-594.10; -590.50] | kJ/mol |
|
| ΔfH°solid | -594.10 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | -590.50 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 19.40 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [118.30; 125.00] | kJ/mol |
|
| ΔsubH° | 118.30 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 124.99 ± 0.74 | kJ/mol | NIST |
| ΔsubH° | 125.00 | kJ/mol | NIST |
| ΔsubH° | 125.00 ± 0.74 | kJ/mol | NIST |
| ΔvapH° | 69.89 | kJ/mol | Joback Calculated Property |
| IE | 9.20 ± 0.20 | eV | NIST |
| log10WS | -1.08 | Crippen Calculated Property | |
| logPoct/wat | 1.090 | Crippen Calculated Property | |
| McVol | 99.040 | ml/mol | McGowan Calculated Property |
| Pc | 6349.11 | kPa | Joback Calculated Property |
| Inp | 1417.00 | NIST | |
| S°solid,1 bar | 177.00 | J/mol×K | NIST |
| Tboil | 612.91 | K | Joback Calculated Property |
| Tc | 833.23 | K | Joback Calculated Property |
| Tfus | [364.00; 472.00] | K |
|
| Tfus | 472.00 ± 1.50 | K | NIST |
| Tfus | 364.00 ± 3.00 | K | NIST |
| Tfus | 472.00 ± 6.00 | 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 | [134.60; 218.80] | J/mol×K | [280.40; 460.40] |
|
| Cp,solid | 134.60 | J/mol×K | 280.40 | Determi... |
| Cp,solid | 136.80 | J/mol×K | 285.50 | Determi... |
| Cp,solid | 157.30 | J/mol×K | 288.40 | NIST |
| Cp,solid | 138.90 | J/mol×K | 290.50 | Determi... |
| Cp,solid | 141.20 | J/mol×K | 295.40 | Determi... |
| Cp,solid | 143.50 | J/mol×K | 300.40 | Determi... |
| Cp,solid | 145.80 | J/mol×K | 305.40 | Determi... |
| Cp,solid | 147.90 | J/mol×K | 310.40 | Determi... |
| Cp,solid | 150.20 | J/mol×K | 315.40 | Determi... |
| Cp,solid | 152.70 | J/mol×K | 320.40 | Determi... |
| Cp,solid | 155.00 | J/mol×K | 325.50 | Determi... |
| Cp,solid | 157.40 | J/mol×K | 330.50 | Determi... |
| Cp,solid | 159.70 | J/mol×K | 335.50 | Determi... |
| Cp,solid | 162.20 | J/mol×K | 340.50 | Determi... |
| Cp,solid | 164.50 | J/mol×K | 345.50 | Determi... |
| Cp,solid | 166.90 | J/mol×K | 350.40 | Determi... |
| Cp,solid | 169.10 | J/mol×K | 355.40 | Determi... |
| Cp,solid | 171.30 | J/mol×K | 360.40 | Determi... |
| Cp,solid | 173.70 | J/mol×K | 365.40 | Determi... |
| Cp,solid | 175.90 | J/mol×K | 370.40 | Determi... |
| Cp,solid | 177.90 | J/mol×K | 375.40 | Determi... |
| Cp,solid | 180.80 | J/mol×K | 380.40 | Determi... |
| Cp,solid | 183.80 | J/mol×K | 385.40 | Determi... |
| Cp,solid | 186.30 | J/mol×K | 390.50 | Determi... |
| Cp,solid | 188.70 | J/mol×K | 395.50 | Determi... |
| Cp,solid | 190.60 | J/mol×K | 400.50 | Determi... |
| Cp,solid | 192.60 | J/mol×K | 405.50 | Determi... |
| Cp,solid | 194.60 | J/mol×K | 410.50 | Determi... |
| Cp,solid | 196.60 | J/mol×K | 415.50 | Determi... |
| Cp,solid | 198.30 | J/mol×K | 420.50 | Determi... |
| Cp,solid | 200.30 | J/mol×K | 425.50 | Determi... |
| Cp,solid | 202.50 | J/mol×K | 430.50 | Determi... |
| Cp,solid | 205.00 | J/mol×K | 435.50 | Determi... |
| Cp,solid | 207.50 | J/mol×K | 440.50 | Determi... |
| Cp,solid | 209.90 | J/mol×K | 445.50 | Determi... |
| Cp,solid | 212.10 | J/mol×K | 450.50 | Determi... |
| Cp,solid | 214.80 | J/mol×K | 455.50 | Determi... |
| Cp,solid | 218.80 | J/mol×K | 460.40 | 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 | [26.20; 36.50] | kJ/mol | [475.10; 476.40] |
|
| ΔfusH | 26.20 | kJ/mol | 475.10 | NIST |
| ΔfusH | 36.50 | kJ/mol | 476.40 | NIST |
| ΔsubH | 123.50 ± 0.74 | kJ/mol | 363.00 | NIST |
Similar Compounds
Find more compounds similar to 3-hydroxybenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Determination of the activity of a molecular solute in saturated solution
- Joback Method
- McGowan Method
- NIST Webbook
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