- InChI
- InChI=1S/C9H8O3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3,(H,11,12)
- InChI Key
- QDAWXRKTSATEOP-UHFFFAOYSA-N
- Formula
- C9H8O3
- SMILES
- CC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 164.16
- CAS
- 577-56-0
- Other Names
-
- Acetophenone-2-carboxylic acid
- Benzoic acid, 2-acetyl-
- Cp,gas : Ideal gas 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -266.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.587 | Crippen Calculated Property | |
| McVol | 122.920 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| I | [2489.00; 2489.00] |
|
|
| I | 2489.00 | NIST | |
| I | 2489.00 | NIST | |
| I | 2489.00 | NIST | |
| Tboil | 636.90 | K | Joback Calculated Property |
| Tc | 848.29 | K | Joback Calculated Property |
| Tfus | 390.81 | K | Joback Calculated Property |
| Vc | 0.463 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.16; 337.06] | J/mol×K | [636.90; 848.29] |
|
| Cp,gas | 291.16 | J/mol×K | 636.90 | Joback Calculated Property |
| Cp,gas | 300.25 | J/mol×K | 672.13 | Joback Calculated Property |
| Cp,gas | 308.74 | J/mol×K | 707.36 | Joback Calculated Property |
| Cp,gas | 316.64 | J/mol×K | 742.59 | Joback Calculated Property |
| Cp,gas | 323.98 | J/mol×K | 777.82 | Joback Calculated Property |
| Cp,gas | 330.78 | J/mol×K | 813.05 | Joback Calculated Property |
| Cp,gas | 337.06 | J/mol×K | 848.29 | Joback Calculated Property |
| η | [0.0000916; 0.0025185] | Pa×s | [390.81; 636.90] |
|
| η | 0.0025185 | Pa×s | 390.81 | Joback Calculated Property |
| η | 0.0011152 | Pa×s | 431.82 | Joback Calculated Property |
| η | 0.0005688 | Pa×s | 472.84 | Joback Calculated Property |
| η | 0.0003230 | Pa×s | 513.86 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 554.87 | Joback Calculated Property |
| η | 0.0001316 | Pa×s | 595.88 | Joback Calculated Property |
| η | 0.0000916 | Pa×s | 636.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Acetylbenzoic acid.
Sources
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