- InChI
- InChI=1S/C8H14O2/c1-4-5-8(6(2)9)7(3)10/h8H,4-5H2,1-3H3
- InChI Key
- AQGSZYZZVTYOMQ-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CCCC(C(C)=O)C(C)=O
- Molecular Weight1
- 142.20
- CAS
- 1540-35-8
- Other Names
-
- 2,4-Pentanedione, 3-propyl-
- 3-Propylacetylacetone
- 3-propyl-2,4-pentadione
- 3-propylpentane-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° | -243.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.10 | kJ/mol | NIST |
| ΔfusH° | 16.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.51 | kJ/mol | Joback Calculated Property |
| log10WS | -0.88 | Aq. Sol... | |
| logPoct/wat | 1.581 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Tboil | 489.74 | K | Joback Calculated Property |
| Tc | 679.53 | K | Joback Calculated Property |
| Tfus | 264.78 | K | Joback Calculated Property |
| Vc | 0.489 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.42; 340.02] | J/mol×K | [489.74; 679.53] | 
|
| Cp,gas | 275.42 | J/mol×K | 489.74 | Joback Calculated Property |
| Cp,gas | 287.52 | J/mol×K | 521.37 | Joback Calculated Property |
| Cp,gas | 299.07 | J/mol×K | 553.00 | Joback Calculated Property |
| Cp,gas | 310.09 | J/mol×K | 584.63 | Joback Calculated Property |
| Cp,gas | 320.57 | J/mol×K | 616.27 | Joback Calculated Property |
| Cp,gas | 330.55 | J/mol×K | 647.90 | Joback Calculated Property |
| Cp,gas | 340.02 | J/mol×K | 679.53 | Joback Calculated Property |
| η | [0.0003165; 0.0050267] | Pa×s | [264.78; 489.74] |
|
| η | 0.0050267 | Pa×s | 264.78 | Joback Calculated Property |
| η | 0.0023823 | Pa×s | 302.27 | Joback Calculated Property |
| η | 0.0013314 | Pa×s | 339.77 | Joback Calculated Property |
| η | 0.0008352 | Pa×s | 377.26 | Joback Calculated Property |
| η | 0.0005701 | Pa×s | 414.75 | Joback Calculated Property |
| η | 0.0004145 | Pa×s | 452.25 | Joback Calculated Property |
| η | 0.0003165 | Pa×s | 489.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-n-Propyl-2,4-pentanedione.
Sources
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