- InChI
- InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
- InChI Key
- KWOLFJPFCHCOCG-FIBGUPNXSA-N
- Formula
- C8H5D3O
- SMILES
- CC(=O)c1ccccc1
- Molecular Weight1
- 123.17
- CAS
- 17537-31-4
- 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 |
|---|---|---|---|
| ΔfG° | -0.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.889 | Crippen Calculated Property | |
| McVol | 101.390 | ml/mol | McGowan Calculated Property |
| Pc | 3945.61 | kPa | Joback Calculated Property |
| Tboil | 462.99 | K | Joback Calculated Property |
| Tc | 684.79 | K | Joback Calculated Property |
| Tfus | 256.27 | K | Joback Calculated Property |
| Vc | 0.382 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.32; 252.40] | J/mol×K | [462.99; 684.79] | 
|
| Cp,gas | 192.32 | J/mol×K | 462.99 | Joback Calculated Property |
| Cp,gas | 204.10 | J/mol×K | 499.96 | Joback Calculated Property |
| Cp,gas | 215.13 | J/mol×K | 536.92 | Joback Calculated Property |
| Cp,gas | 225.45 | J/mol×K | 573.89 | Joback Calculated Property |
| Cp,gas | 235.08 | J/mol×K | 610.86 | Joback Calculated Property |
| Cp,gas | 244.05 | J/mol×K | 647.82 | Joback Calculated Property |
| Cp,gas | 252.40 | J/mol×K | 684.79 | Joback Calculated Property |
| η | [0.0002805; 0.0029135] | Pa×s | [256.27; 462.99] |
|
| η | 0.0029135 | Pa×s | 256.27 | Joback Calculated Property |
| η | 0.0015654 | Pa×s | 290.72 | Joback Calculated Property |
| η | 0.0009594 | Pa×s | 325.18 | Joback Calculated Property |
| η | 0.0006459 | Pa×s | 359.63 | Joback Calculated Property |
| η | 0.0004659 | Pa×s | 394.08 | Joback Calculated Property |
| η | 0.0003542 | Pa×s | 428.54 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 462.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetophenone-«alpha»,«alpha»,«alpha»-d3.
Sources
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