- InChI
- InChI=1S/C12H22O2/c1-11(13)9-7-5-3-4-6-8-10-12(2)14/h3-10H2,1-2H3
- InChI Key
- IALFUWZSWAKBDF-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(=O)CCCCCCCCC(C)=O
- Molecular Weight1
- 198.30
- CAS
- 7029-09-6
- 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 | 0.6891 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -543.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.285 | Crippen Calculated Property | |
| McVol | 183.080 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Tboil | 540.19 | K | Relay (1.0) Calculated Property |
| Tc | 721.52 | K | Relay (1.0) Calculated Property |
| Tfus | 342.90 ± 2.00 | K | NIST |
| Vc | 0.693 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.66; 541.64] | J/mol×K | [581.70; 760.16] | 
|
| Cp,gas | 461.66 | J/mol×K | 581.70 | Joback Calculated Property |
| Cp,gas | 476.62 | J/mol×K | 611.44 | Joback Calculated Property |
| Cp,gas | 490.91 | J/mol×K | 641.19 | Joback Calculated Property |
| Cp,gas | 504.54 | J/mol×K | 670.93 | Joback Calculated Property |
| Cp,gas | 517.53 | J/mol×K | 700.67 | Joback Calculated Property |
| Cp,gas | 529.89 | J/mol×K | 730.42 | Joback Calculated Property |
| Cp,gas | 541.64 | J/mol×K | 760.16 | Joback Calculated Property |
| η | [0.0002437; 0.0033704] | Pa×s | [324.86; 581.70] |
|
| η | 0.0033704 | Pa×s | 324.86 | Joback Calculated Property |
| η | 0.0016860 | Pa×s | 367.67 | Joback Calculated Property |
| η | 0.0009745 | Pa×s | 410.47 | Joback Calculated Property |
| η | 0.0006247 | Pa×s | 453.28 | Joback Calculated Property |
| η | 0.0004324 | Pa×s | 496.09 | Joback Calculated Property |
| η | 0.0003173 | Pa×s | 538.89 | Joback Calculated Property |
| η | 0.0002437 | Pa×s | 581.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,11-Dodecanedione.
Sources
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