- InChI
- InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
- InChI Key
- YRAJNWYBUCUFBD-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CC(C)(C)C(=O)CC(=O)C(C)(C)C
- Molecular Weight1
- 184.28
- CAS
- 1118-71-4
- Other Names
-
- Dipivaloylmethane
- 2,2,6,6-Tetramethyl-3,5-heptanedione
- (CH3)3CCOCH2COC(CH3)3
- 2,2,6,6-Tetramethylheptane-3,5-dione
- 2,2,6,6-Tetramethyl heptanedione
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | -6599.20 ± 3.50 | kJ/mol | NIST |
| ΔfG° | -210.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -528.40 ± 3.90 | kJ/mol | NIST |
| ΔfH°liquid | [-587.90; -587.70] | kJ/mol |
|
| ΔfH°liquid | -587.70 ± 3.80 | kJ/mol | NIST |
| ΔfH°liquid | -587.90 ± 3.90 | kJ/mol | NIST |
| ΔfusH° | 12.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [59.50; 59.54] | kJ/mol |
|
| ΔvapH° | 59.54 | kJ/mol | NIST |
| ΔvapH° | 59.50 | kJ/mol | NIST |
| IE | [7.90; 8.86] | eV |
|
| IE | 7.90 | eV | NIST |
| IE | 8.86 ± 0.07 | eV | NIST |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 2.607 | Crippen Calculated Property | |
| McVol | 168.990 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Tboil | 552.36 | K | Joback Calculated Property |
| Tc | 753.62 | K | Joback Calculated Property |
| Tfus | 318.43 | K | Joback Calculated Property |
| Vc | 0.641 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.71; 501.36] | J/mol×K | [552.36; 753.62] |
|
| Cp,gas | 418.71 | J/mol×K | 552.36 | Joback Calculated Property |
| Cp,gas | 434.83 | J/mol×K | 585.90 | Joback Calculated Property |
| Cp,gas | 449.93 | J/mol×K | 619.45 | Joback Calculated Property |
| Cp,gas | 464.08 | J/mol×K | 652.99 | Joback Calculated Property |
| Cp,gas | 477.33 | J/mol×K | 686.54 | Joback Calculated Property |
| Cp,gas | 489.74 | J/mol×K | 720.08 | Joback Calculated Property |
| Cp,gas | 501.36 | J/mol×K | 753.62 | Joback Calculated Property |
| η | [0.0002283; 0.0049922] | Pa×s | [318.43; 552.36] |
|
| η | 0.0049922 | Pa×s | 318.43 | Joback Calculated Property |
| η | 0.0022552 | Pa×s | 357.42 | Joback Calculated Property |
| η | 0.0011912 | Pa×s | 396.41 | Joback Calculated Property |
| η | 0.0007053 | Pa×s | 435.39 | Joback Calculated Property |
| η | 0.0004552 | Pa×s | 474.38 | Joback Calculated Property |
| η | 0.0003140 | Pa×s | 513.37 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 552.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 345.70 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to 3,5-Heptanedione, 2,2,6,6-tetramethyl-.
Sources
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