![6-Acetyl-5,8,8-trimethylbicyclo[3.2.1]octan-2,3-dione](/cid/14-183-3/6-Acetyl-5-8-8-trimethylbicyclo-3-2-1-octan-2-3-dione.png "6-Acetyl-5,8,8-trimethylbicyclo[3.2.1]octan-2,3-dione")
- InChI
- InChI=1S/C13H18O4/c1-7(14)17-10-5-8-11(16)9(15)6-13(10,4)12(8,2)3/h8,10H,5-6H2,1-4H3
- InChI Key
- AZMIQLMLMLDESS-UHFFFAOYSA-N
- Formula
- C13H18O4
- SMILES
-
CC(=O)OC1CC2C(=O)C(=O)CC1(C)C2
(C)C - Molecular Weight1
- 238.28
- 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 | 0.5050 | Relay (1.0) Calculated Property | |
| ΔfG° | -349.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.512 | Crippen Calculated Property | |
| McVol | 182.890 | ml/mol | McGowan Calculated Property |
| Pc | 2460.47 | kPa | Joback Calculated Property |
| Inp | [1593.00; 1593.00] |
|
|
| Inp | 1593.00 | NIST | |
| Inp | 1593.00 | NIST | |
| I | [2602.00; 2602.00] |
|
|
| I | 2602.00 | NIST | |
| I | 2602.00 | NIST | |
| Tboil | 537.40 | K | Relay (1.0) Calculated Property |
| Tc | 802.24 | K | Relay (1.0) Calculated Property |
| Tfus | 435.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [558.09; 669.95] | J/mol×K | [721.93; 964.74] |
|
| Cp,gas | 558.09 | J/mol×K | 721.93 | Joback Calculated Property |
| Cp,gas | 577.26 | J/mol×K | 762.40 | Joback Calculated Property |
| Cp,gas | 595.94 | J/mol×K | 802.87 | Joback Calculated Property |
| Cp,gas | 614.34 | J/mol×K | 843.33 | Joback Calculated Property |
| Cp,gas | 632.66 | J/mol×K | 883.80 | Joback Calculated Property |
| Cp,gas | 651.13 | J/mol×K | 924.27 | Joback Calculated Property |
| Cp,gas | 669.95 | J/mol×K | 964.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Acetyl-5,8,8-trimethylbicyclo[3.2.1]octan-2,3-dione.
Sources
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