- InChI
- InChI=1S/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H3
- InChI Key
- AWKBVLVKQQRRFQ-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- CC(=O)c1cc(C)ccc1C
- Molecular Weight1
- 148.21
- Other Names
-
- 1-(2,5-dimethylphenyl)ethan-1-one
- 2',5'-Dimethylacetophenone
- 2,5-(CH3)2C6H3-COCH3
- 2,5-Dimethylacetophenone
- Acetophenone, 2',5'-dimethyl-
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.4789 | Relay (1.0) Calculated Property | |
| PAff | 873.50 | kJ/mol | NIST |
| BasG | 841.60 | kJ/mol | NIST |
| ΔfG° | -2.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -162.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.506 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 508.17 | K | Relay (1.0) Calculated Property |
| Tc | 728.39 | K | Relay (1.0) Calculated Property |
| Tfus | 255.10 ± 0.70 | K | NIST |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.66; 345.45] | J/mol×K | [518.91; 736.27] | 
|
| Cp,gas | 276.66 | J/mol×K | 518.91 | Joback Calculated Property |
| Cp,gas | 289.86 | J/mol×K | 555.14 | Joback Calculated Property |
| Cp,gas | 302.34 | J/mol×K | 591.36 | Joback Calculated Property |
| Cp,gas | 314.11 | J/mol×K | 627.59 | Joback Calculated Property |
| Cp,gas | 325.21 | J/mol×K | 663.82 | Joback Calculated Property |
| Cp,gas | 335.65 | J/mol×K | 700.04 | Joback Calculated Property |
| Cp,gas | 345.45 | J/mol×K | 736.27 | Joback Calculated Property |
| η | [0.0002421; 0.0017002] | Pa×s | [303.85; 518.91] |
|
| η | 0.0017002 | Pa×s | 303.85 | Joback Calculated Property |
| η | 0.0010351 | Pa×s | 339.69 | Joback Calculated Property |
| η | 0.0006928 | Pa×s | 375.54 | Joback Calculated Property |
| η | 0.0004973 | Pa×s | 411.38 | Joback Calculated Property |
| η | 0.0003764 | Pa×s | 447.22 | Joback Calculated Property |
| η | 0.0002969 | Pa×s | 483.07 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 518.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,5-dimethylphenyl)-.
Sources
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