- InChI
- InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3
- InChI Key
- RQZJIXZNJBCGQC-UHFFFAOYSA-N
- Formula
- C9H14O3
- SMILES
- CC(=O)CCC(C(C)=O)C(C)=O
- Molecular Weight1
- 170.21
- CAS
- 29214-57-1
- Other Names
-
- 3-acetylheptane-2,6-dione
- 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 | 0.5211 | Relay (... Calculated Property | |
| ΔfG° | -364.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.72 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.98 | eV | Relay (... Calculated Property |
| log10WS | -0.29 | Relay (... Calculated Property | |
| logPoct/wat | 1.150 | Crippen Calculated Property | |
| McVol | 142.380 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Tboil | 508.57 | K | Relay (... Calculated Property |
| Tc | 695.08 | K | Relay (... Calculated Property |
| Tfus | 303.81 | K | Relay (... Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.30; 400.67] | J/mol×K | [566.49; 762.62] | 
|
| Cp,gas | 337.30 | J/mol×K | 566.49 | Joback Calculated Property |
| Cp,gas | 349.37 | J/mol×K | 599.18 | Joback Calculated Property |
| Cp,gas | 360.81 | J/mol×K | 631.87 | Joback Calculated Property |
| Cp,gas | 371.65 | J/mol×K | 664.55 | Joback Calculated Property |
| Cp,gas | 381.90 | J/mol×K | 697.24 | Joback Calculated Property |
| Cp,gas | 391.56 | J/mol×K | 729.93 | Joback Calculated Property |
| Cp,gas | 400.67 | J/mol×K | 762.62 | Joback Calculated Property |
| η | [0.0003133; 0.0038903] | Pa×s | [325.98; 566.49] |
|
| η | 0.0038903 | Pa×s | 325.98 | Joback Calculated Property |
| η | 0.0020314 | Pa×s | 366.06 | Joback Calculated Property |
| η | 0.0012059 | Pa×s | 406.15 | Joback Calculated Property |
| η | 0.0007862 | Pa×s | 446.24 | Joback Calculated Property |
| η | 0.0005500 | Pa×s | 486.32 | Joback Calculated Property |
| η | 0.0004063 | Pa×s | 526.40 | Joback Calculated Property |
| η | 0.0003133 | Pa×s | 566.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Heptanedione, 3-acetyl-.
Sources
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