- InChI
- InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3
- InChI Key
- OACYKCIZDVVNJL-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1CCC(=O)C1=O
- Molecular Weight1
- 112.13
- CAS
- 765-70-8
- Other Names
-
- 3-Methyl-1,2-cyclopentanedione
- 3-Methylcyclopentane-1,2-dione
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- I : 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 | 0.3985 | Relay (... Calculated Property | |
| ΔfG° | -208.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 4.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.84 | kJ/mol | Relay (... Calculated Property |
| IE | 9.42 | eV | Relay (... Calculated Property |
| log10WS | -0.63 | Relay (... Calculated Property | |
| logPoct/wat | 0.554 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Inp | [1043.00; 1043.00] |
|
|
| Inp | 1043.00 | NIST | |
| Inp | 1043.00 | NIST | |
| Inp | 1043.00 | NIST | |
| I | 1781.00 | NIST | |
| Tboil | 446.00 | K | Relay (... Calculated Property |
| Tc | 686.43 | K | Relay (... Calculated Property |
| Tfus | 326.77 | K | Relay (... Calculated Property |
| Vc | 0.311 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.84; 259.55] | J/mol×K | [487.60; 724.67] |
|
| Cp,gas | 188.84 | J/mol×K | 487.60 | Joback Calculated Property |
| Cp,gas | 201.89 | J/mol×K | 527.11 | Joback Calculated Property |
| Cp,gas | 214.49 | J/mol×K | 566.62 | Joback Calculated Property |
| Cp,gas | 226.61 | J/mol×K | 606.13 | Joback Calculated Property |
| Cp,gas | 238.19 | J/mol×K | 645.64 | Joback Calculated Property |
| Cp,gas | 249.18 | J/mol×K | 685.15 | Joback Calculated Property |
| Cp,gas | 259.55 | J/mol×K | 724.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclopentanedione, 3-methyl-.
Sources
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