- InChI
- InChI=1S/C8H8O2/c1-6-3-2-4-7(5-9)8(6)10/h2-5,10H,1H3
- InChI Key
- IPPQNXSAJZOTJZ-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- Cc1cccc(C=O)c1O
- Molecular Weight1
- 136.15
- CAS
- 824-42-0
- ω : Acentric Factor.
- 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).
- 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.
- 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 | 0.5581 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -268.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.513 | Crippen Calculated Property | |
| McVol | 107.260 | ml/mol | McGowan Calculated Property |
| Pc | 4775.98 | kPa | Joback Calculated Property |
| Inp | [1125.00; 1164.00] |
|
|
| Inp | 1125.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Tboil | 508.54 | K | Relay (1.0) Calculated Property |
| Tc | 786.30 | K | Relay (1.0) Calculated Property |
| Tfus | 323.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.372 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.56; 288.11] | J/mol×K | [543.38; 774.17] |
|
| Cp,gas | 238.56 | J/mol×K | 543.38 | Joback Calculated Property |
| Cp,gas | 248.41 | J/mol×K | 581.85 | Joback Calculated Property |
| Cp,gas | 257.53 | J/mol×K | 620.31 | Joback Calculated Property |
| Cp,gas | 265.98 | J/mol×K | 658.78 | Joback Calculated Property |
| Cp,gas | 273.85 | J/mol×K | 697.24 | Joback Calculated Property |
| Cp,gas | 281.20 | J/mol×K | 735.71 | Joback Calculated Property |
| Cp,gas | 288.11 | J/mol×K | 774.17 | Joback Calculated Property |
| η | [0.0000748; 0.0017717] | Pa×s | [372.58; 543.38] |
|
| η | 0.0017717 | Pa×s | 372.58 | Joback Calculated Property |
| η | 0.0008670 | Pa×s | 401.05 | Joback Calculated Property |
| η | 0.0004664 | Pa×s | 429.51 | Joback Calculated Property |
| η | 0.0002710 | Pa×s | 457.98 | Joback Calculated Property |
| η | 0.0001678 | Pa×s | 486.45 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 514.91 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 543.38 | Joback Calculated Property |
Similar Compounds
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Sources
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