- InChI
- InChI=1S/C9H16O2/c1-4-5-6-9(7(2)10)8(3)11/h9H,4-6H2,1-3H3
- InChI Key
- MBXOOYPCIDHXGH-UHFFFAOYSA-N
- Formula
- C9H16O2
- SMILES
- CCCCC(C(C)=O)C(C)=O
- Molecular Weight1
- 156.22
- CAS
- 1540-36-9
- Other Names
-
- 3-Acetyl-2-heptanone
- 3-Butyl-2,4-pentanedione
- 3-Butylacetylacetone
- 3-Butylpentanedione-2,4
- 3-n-Butyl-2,4-pentanedione
- 3-butylpentane-2,4-dione
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -235.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.30 | kJ/mol | NIST |
| ΔfusH° | 18.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.73 | kJ/mol | Joback Calculated Property |
| log10WS | -1.91 | Crippen Calculated Property | |
| logPoct/wat | 1.971 | Crippen Calculated Property | |
| McVol | 140.810 | ml/mol | McGowan Calculated Property |
| Pc | 2635.25 | kPa | Joback Calculated Property |
| Tboil | 512.62 | K | Joback Calculated Property |
| Tc | 700.24 | K | Joback Calculated Property |
| Tfus | 276.05 | K | Joback Calculated Property |
| Vc | 0.545 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.33; 388.99] | J/mol×K | [512.62; 700.24] | 
|
| Cp,gas | 319.33 | J/mol×K | 512.62 | Joback Calculated Property |
| Cp,gas | 332.39 | J/mol×K | 543.89 | Joback Calculated Property |
| Cp,gas | 344.84 | J/mol×K | 575.16 | Joback Calculated Property |
| Cp,gas | 356.72 | J/mol×K | 606.43 | Joback Calculated Property |
| Cp,gas | 368.02 | J/mol×K | 637.70 | Joback Calculated Property |
| Cp,gas | 378.78 | J/mol×K | 668.97 | Joback Calculated Property |
| Cp,gas | 388.99 | J/mol×K | 700.24 | Joback Calculated Property |
| η | [0.0002961; 0.0049787] | Pa×s | [276.05; 512.62] |
|
| η | 0.0049787 | Pa×s | 276.05 | Joback Calculated Property |
| η | 0.0023185 | Pa×s | 315.48 | Joback Calculated Property |
| η | 0.0012795 | Pa×s | 354.91 | Joback Calculated Property |
| η | 0.0007952 | Pa×s | 394.34 | Joback Calculated Property |
| η | 0.0005389 | Pa×s | 433.76 | Joback Calculated Property |
| η | 0.0003896 | Pa×s | 473.19 | Joback Calculated Property |
| η | 0.0002961 | Pa×s | 512.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 3-butyl-.
Sources
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