- InChI
- InChI=1S/C12H16O4/c1-6(13)7-8(14)11(2,3)10(16)12(4,5)9(7)15/h7H,1-5H3
- InChI Key
- AOFIHSHOAKIKPN-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
-
CC(=O)C1C(=O)C(C)(C)C(=O)C(C)(
C)C1=O - Molecular Weight1
- 224.25
- CAS
- 80597-59-7
- 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.
- 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 | 0.4580 | Relay (1.0) Calculated Property | |
| ΔfG° | -448.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.965 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [1369.30; 1369.30] |
|
|
| Inp | 1369.30 | NIST | |
| Inp | 1369.30 | NIST | |
| Tboil | 523.52 | K | Relay (1.0) Calculated Property |
| Tc | 751.25 | K | Relay (1.0) Calculated Property |
| Tfus | 406.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.61; 636.19] | J/mol×K | [741.98; 996.11] |
|
| Cp,gas | 525.61 | J/mol×K | 741.98 | Joback Calculated Property |
| Cp,gas | 544.71 | J/mol×K | 784.34 | Joback Calculated Property |
| Cp,gas | 563.34 | J/mol×K | 826.69 | Joback Calculated Property |
| Cp,gas | 581.65 | J/mol×K | 869.05 | Joback Calculated Property |
| Cp,gas | 599.79 | J/mol×K | 911.40 | Joback Calculated Property |
| Cp,gas | 617.92 | J/mol×K | 953.76 | Joback Calculated Property |
| Cp,gas | 636.19 | J/mol×K | 996.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-acetyl-2,2,4,4-tetramethylcyclohexane-1,3,5-trione.
Sources
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