- InChI
- InChI=1S/C7H10O3/c1-4(8)7(5(2)9)6(3)10/h7H,1-3H3
- InChI Key
- AUZFRUHVDNDVJI-UHFFFAOYSA-N
- Formula
- C7H10O3
- SMILES
- CC(=O)C(C(C)=O)C(C)=O
- Molecular Weight1
- 142.15
- CAS
- 815-68-9
- Other Names
-
- 3-Acetyl-2,4-pentanedione
- Methane, triacetyl-
- Triacetylmethane
- Methane triacetate
- methine triacetate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔfG° | -381.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -530.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.03 | kJ/mol | Joback Calculated Property |
| log10WS | -0.35 | Crippen Calculated Property | |
| logPoct/wat | 0.370 | Crippen Calculated Property | |
| McVol | 114.200 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | 476.70 | K | NIST |
| Tc | 722.40 | K | Joback Calculated Property |
| Tfus | 303.44 | K | Joback Calculated Property |
| Vc | 0.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.37; 301.76] | J/mol×K | [520.73; 722.40] | 
|
| Cp,gas | 248.37 | J/mol×K | 520.73 | Joback Calculated Property |
| Cp,gas | 258.53 | J/mol×K | 554.34 | Joback Calculated Property |
| Cp,gas | 268.18 | J/mol×K | 587.95 | Joback Calculated Property |
| Cp,gas | 277.31 | J/mol×K | 621.57 | Joback Calculated Property |
| Cp,gas | 285.95 | J/mol×K | 655.18 | Joback Calculated Property |
| Cp,gas | 294.09 | J/mol×K | 688.79 | Joback Calculated Property |
| Cp,gas | 301.76 | J/mol×K | 722.40 | Joback Calculated Property |
| η | [0.0003662; 0.0040411] | Pa×s | [303.44; 520.73] |
|
| η | 0.0040411 | Pa×s | 303.44 | Joback Calculated Property |
| η | 0.0021881 | Pa×s | 339.65 | Joback Calculated Property |
| η | 0.0013334 | Pa×s | 375.87 | Joback Calculated Property |
| η | 0.0008865 | Pa×s | 412.09 | Joback Calculated Property |
| η | 0.0006296 | Pa×s | 448.30 | Joback Calculated Property |
| η | 0.0004706 | Pa×s | 484.51 | Joback Calculated Property |
| η | 0.0003662 | Pa×s | 520.73 | Joback Calculated Property |
| ΔvapH | 54.90 | kJ/mol | 423.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.50 ± 0.50 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 3-acetyl-.
Sources
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