- InChI
- InChI=1S/C10H18O2/c1-7(2)8(11)6-9(12)10(3,4)5/h7H,6H2,1-5H3
- InChI Key
- KLKRGCUPZROPPO-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CC(C)C(=O)CC(=O)C(C)(C)C
- Molecular Weight1
- 170.25
- CAS
- 7333-23-5
- Other Names
-
- 2,2,6-trimethylheptane-3,5-dione
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -5939.50 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -224.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.70 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | [-568.40; -568.10] | kJ/mol |
|
| ΔfH°liquid | -568.10 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -568.40 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 13.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.70 | kJ/mol | NIST |
| log10WS | -2.09 | Crippen Calculated Property | |
| logPoct/wat | 2.217 | Crippen Calculated Property | |
| McVol | 154.900 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Tboil | 532.27 | K | Joback Calculated Property |
| Tc | 728.77 | K | Joback Calculated Property |
| Tfus | 289.74 | K | Joback Calculated Property |
| Vc | 0.591 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.32; 445.70] | J/mol×K | [532.27; 728.77] |
|
| Cp,gas | 368.32 | J/mol×K | 532.27 | Joback Calculated Property |
| Cp,gas | 383.17 | J/mol×K | 565.02 | Joback Calculated Property |
| Cp,gas | 397.19 | J/mol×K | 597.77 | Joback Calculated Property |
| Cp,gas | 410.42 | J/mol×K | 630.52 | Joback Calculated Property |
| Cp,gas | 422.89 | J/mol×K | 663.27 | Joback Calculated Property |
| Cp,gas | 434.64 | J/mol×K | 696.02 | Joback Calculated Property |
| Cp,gas | 445.70 | J/mol×K | 728.77 | Joback Calculated Property |
| η | [0.0002575; 0.0061991] | Pa×s | [289.74; 532.27] |
|
| η | 0.0061991 | Pa×s | 289.74 | Joback Calculated Property |
| η | 0.0026371 | Pa×s | 330.16 | Joback Calculated Property |
| η | 0.0013518 | Pa×s | 370.58 | Joback Calculated Property |
| η | 0.0007902 | Pa×s | 411.00 | Joback Calculated Property |
| η | 0.0005086 | Pa×s | 451.43 | Joback Calculated Property |
| η | 0.0003519 | Pa×s | 491.85 | Joback Calculated Property |
| η | 0.0002575 | Pa×s | 532.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Heptanedione, 2,2,6-trimethyl-.
Sources
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