- InChI
- InChI=1S/C7H7O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H2
- InChI Key
- RMAINTGPKFNBDP-UHFFFAOYSA-N
- Formula
- C7H7O
- SMILES
- [CH2]c1ccccc1O
- Molecular Weight1
- 107.13
- CAS
- 155174-21-3
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 878.50 | kJ/mol | NIST |
| BasG | 846.00 | kJ/mol | NIST |
| ΔfG° | 18.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -72.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.32 | kJ/mol | Joback Calculated Property |
| log10WS | -1.12 | Crippen Calculated Property | |
| logPoct/wat | 1.574 | Crippen Calculated Property | |
| McVol | 89.450 | ml/mol | McGowan Calculated Property |
| Pc | 5359.18 | kPa | Joback Calculated Property |
| Tboil | 466.16 | K | Joback Calculated Property |
| Tc | 691.87 | K | Joback Calculated Property |
| Tfus | 323.16 | K | Joback Calculated Property |
| Vc | 0.277 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.64; 224.27] | J/mol×K | [466.16; 691.87] | 
|
| Cp,gas | 177.64 | J/mol×K | 466.16 | Joback Calculated Property |
| Cp,gas | 187.45 | J/mol×K | 503.78 | Joback Calculated Property |
| Cp,gas | 196.30 | J/mol×K | 541.40 | Joback Calculated Property |
| Cp,gas | 204.30 | J/mol×K | 579.01 | Joback Calculated Property |
| Cp,gas | 211.56 | J/mol×K | 616.63 | Joback Calculated Property |
| Cp,gas | 218.18 | J/mol×K | 654.25 | Joback Calculated Property |
| Cp,gas | 224.27 | J/mol×K | 691.87 | Joback Calculated Property |
| η | [0.0002124; 0.0038840] | Pa×s | [323.16; 466.16] |
|
| η | 0.0038840 | Pa×s | 323.16 | Joback Calculated Property |
| η | 0.0020261 | Pa×s | 346.99 | Joback Calculated Property |
| η | 0.0011492 | Pa×s | 370.83 | Joback Calculated Property |
| η | 0.0006980 | Pa×s | 394.66 | Joback Calculated Property |
| η | 0.0004487 | Pa×s | 418.49 | Joback Calculated Property |
| η | 0.0003025 | Pa×s | 442.33 | Joback Calculated Property |
| η | 0.0002124 | Pa×s | 466.16 | Joback Calculated Property |
Similar Compounds
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Sources
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