- InChI
- InChI=1S/C9H16O2/c1-6(2)8(10)5-9(11)7(3)4/h6-7H,5H2,1-4H3
- InChI Key
- CEGGECULKVTYMM-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CC(C)C(=O)CC(=O)C(C)C
- Molecular Weight1
- 156.22
- CAS
- 18362-64-6
- Other Names
-
- 2,6-Dimethyl-3,5-heptanedione
- 2,6-dimethylheptane-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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -5301.40 ± 1.60 | kJ/mol | NIST |
| ΔfG° | -237.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.40 ± 2.10 | kJ/mol | NIST |
| ΔfH°liquid | [-527.30; -526.80] | kJ/mol |
|
| ΔfH°liquid | -526.80 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -527.30 ± 2.10 | kJ/mol | NIST |
| ΔfusH° | 15.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.10 | kJ/mol | NIST |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.827 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | [1076.00; 1120.00] |
|
|
| Inp | 1120.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Inp | 1076.00 | NIST | |
| Tboil | 512.18 | K | Joback Calculated Property |
| Tc | 703.77 | K | Joback Calculated Property |
| Tfus | 261.05 | K | Joback Calculated Property |
| Vc | 0.539 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.58; 390.83] | J/mol×K | [512.18; 703.77] |
|
| Cp,gas | 319.58 | J/mol×K | 512.18 | Joback Calculated Property |
| Cp,gas | 332.99 | J/mol×K | 544.11 | Joback Calculated Property |
| Cp,gas | 345.76 | J/mol×K | 576.04 | Joback Calculated Property |
| Cp,gas | 357.91 | J/mol×K | 607.98 | Joback Calculated Property |
| Cp,gas | 369.47 | J/mol×K | 639.91 | Joback Calculated Property |
| Cp,gas | 380.44 | J/mol×K | 671.84 | Joback Calculated Property |
| Cp,gas | 390.83 | J/mol×K | 703.77 | Joback Calculated Property |
| η | [0.0002796; 0.0071523] | Pa×s | [261.05; 512.18] |
|
| η | 0.0071523 | Pa×s | 261.05 | Joback Calculated Property |
| η | 0.0028688 | Pa×s | 302.91 | Joback Calculated Property |
| η | 0.0014364 | Pa×s | 344.76 | Joback Calculated Property |
| η | 0.0008354 | Pa×s | 386.62 | Joback Calculated Property |
| η | 0.0005402 | Pa×s | 428.47 | Joback Calculated Property |
| η | 0.0003774 | Pa×s | 470.33 | Joback Calculated Property |
| η | 0.0002796 | Pa×s | 512.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Heptanedione, 2,6-dimethyl-.
Sources
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