- InChI
- InChI=1S/C12H22O2/c1-9(2)11(13)7-5-6-8-12(14)10(3)4/h9-10H,5-8H2,1-4H3
- InChI Key
- HXQGDVMNCVJPFP-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)C(=O)CCCCC(=O)C(C)C
- Molecular Weight1
- 198.30
- CAS
- 1490-37-5
- ω : Acentric Factor.
- 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 | 0.5790 | Relay (1.0) Calculated Property | |
| ΔfG° | -212.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -556.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.997 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Tboil | 506.81 | K | Relay (1.0) Calculated Property |
| Tc | 690.68 | K | Relay (1.0) Calculated Property |
| Tfus | 325.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.676 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.36; 545.33] | J/mol×K | [580.82; 765.86] | 
|
| Cp,gas | 462.36 | J/mol×K | 580.82 | Joback Calculated Property |
| Cp,gas | 477.98 | J/mol×K | 611.66 | Joback Calculated Property |
| Cp,gas | 492.86 | J/mol×K | 642.50 | Joback Calculated Property |
| Cp,gas | 507.02 | J/mol×K | 673.34 | Joback Calculated Property |
| Cp,gas | 520.47 | J/mol×K | 704.18 | Joback Calculated Property |
| Cp,gas | 533.23 | J/mol×K | 735.02 | Joback Calculated Property |
| Cp,gas | 545.33 | J/mol×K | 765.86 | Joback Calculated Property |
| η | [0.0002134; 0.0061035] | Pa×s | [294.86; 580.82] |
|
| η | 0.0061035 | Pa×s | 294.86 | Joback Calculated Property |
| η | 0.0023658 | Pa×s | 342.52 | Joback Calculated Property |
| η | 0.0011559 | Pa×s | 390.18 | Joback Calculated Property |
| η | 0.0006601 | Pa×s | 437.84 | Joback Calculated Property |
| η | 0.0004208 | Pa×s | 485.50 | Joback Calculated Property |
| η | 0.0002907 | Pa×s | 533.16 | Joback Calculated Property |
| η | 0.0002134 | Pa×s | 580.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,8-Decanedione, 2,9-dimethyl-.
Sources
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