- InChI
- InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3
- InChI Key
- VCHOFVSNWYPAEF-UHFFFAOYSA-N
- Formula
- C10H10O2
- SMILES
- CC(=O)c1cccc(C(C)=O)c1
- Molecular Weight1
- 162.19
- CAS
- 6781-42-6
- Other Names
-
- 1,3-Diacetylbenzene
- m-Diacetylbenzene
- m-Acetyl acetophenone
- 3-CH3CO-C6H4-COCH3
- benzene-1,3-bis(acetyl)
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5286 | Relay (1.0) Calculated Property | |
| PAff | 852.00 | kJ/mol | NIST |
| BasG | 822.30 | kJ/mol | NIST |
| ΔfG° | -121.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.092 | Crippen Calculated Property | |
| McVol | 131.140 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| I | 2333.00 | NIST | |
| Tboil | 539.27 | K | Relay (1.0) Calculated Property |
| Tc | 760.69 | K | Relay (1.0) Calculated Property |
| Tfus | 354.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.49; 354.96] | J/mol×K | [567.60; 792.32] | 
|
| Cp,gas | 292.49 | J/mol×K | 567.60 | Joback Calculated Property |
| Cp,gas | 304.79 | J/mol×K | 605.05 | Joback Calculated Property |
| Cp,gas | 316.30 | J/mol×K | 642.51 | Joback Calculated Property |
| Cp,gas | 327.04 | J/mol×K | 679.96 | Joback Calculated Property |
| Cp,gas | 337.05 | J/mol×K | 717.41 | Joback Calculated Property |
| Cp,gas | 346.35 | J/mol×K | 754.86 | Joback Calculated Property |
| Cp,gas | 354.96 | J/mol×K | 792.32 | Joback Calculated Property |
| η | [0.0002765; 0.0020791] | Pa×s | [341.26; 567.60] |
|
| η | 0.0020791 | Pa×s | 341.26 | Joback Calculated Property |
| η | 0.0012565 | Pa×s | 378.98 | Joback Calculated Property |
| η | 0.0008319 | Pa×s | 416.71 | Joback Calculated Property |
| η | 0.0005898 | Pa×s | 454.43 | Joback Calculated Property |
| η | 0.0004408 | Pa×s | 492.15 | Joback Calculated Property |
| η | 0.0003433 | Pa×s | 529.88 | Joback Calculated Property |
| η | 0.0002765 | Pa×s | 567.60 | Joback Calculated Property |
| ΔvapH | 43.20 | kJ/mol | 370.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 425.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1,1'-(1,3-phenylene)bis-.
Sources
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