- InChI
- InChI=1S/C9H16O2/c1-5-9(3,4)8(11)6-7(2)10/h5-6H2,1-4H3
- InChI Key
- QIQINAXWAHDJTB-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CCC(C)(C)C(=O)CC(C)=O
- Molecular Weight1
- 156.22
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -230.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.971 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Inp | [988.41; 993.79] |
|
|
| Inp | 988.41 | NIST | |
| Inp | 993.79 | NIST | |
| Tboil | 509.83 | K | Joback Calculated Property |
| Tc | 704.75 | K | Joback Calculated Property |
| Tfus | 293.47 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.25; 393.74] | J/mol×K | [509.83; 704.75] |
|
| Cp,gas | 322.25 | J/mol×K | 509.83 | Joback Calculated Property |
| Cp,gas | 335.95 | J/mol×K | 542.32 | Joback Calculated Property |
| Cp,gas | 348.89 | J/mol×K | 574.80 | Joback Calculated Property |
| Cp,gas | 361.11 | J/mol×K | 607.29 | Joback Calculated Property |
| Cp,gas | 372.64 | J/mol×K | 639.78 | Joback Calculated Property |
| Cp,gas | 383.51 | J/mol×K | 672.27 | Joback Calculated Property |
| Cp,gas | 393.74 | J/mol×K | 704.75 | Joback Calculated Property |
| η | [0.0003008; 0.0046319] | Pa×s | [293.47; 509.83] |
|
| η | 0.0046319 | Pa×s | 293.47 | Joback Calculated Property |
| η | 0.0022886 | Pa×s | 329.53 | Joback Calculated Property |
| η | 0.0012995 | Pa×s | 365.59 | Joback Calculated Property |
| η | 0.0008168 | Pa×s | 401.65 | Joback Calculated Property |
| η | 0.0005542 | Pa×s | 437.71 | Joback Calculated Property |
| η | 0.0003989 | Pa×s | 473.77 | Joback Calculated Property |
| η | 0.0003008 | Pa×s | 509.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,5-Dimethyl-2,4-heptanedione.
Sources
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