- InChI
- InChI=1S/C8H14O2/c1-5(2)8(6(3)9)7(4)10/h5,8H,1-4H3
- InChI Key
- BPIHCIRSGQKCLT-UHFFFAOYSA-N
- Formula
- C8H14O2
- SMILES
- CC(=O)C(C(C)=O)C(C)C
- Molecular Weight1
- 142.20
- CAS
- 1540-38-1
- Other Names
-
- 2,4-Pentanedione, 3-isopropyl-
- Isopropylacetylacetone
- 3-Isopropyl-2,4-pentanedione
- 3-(1-Methylethyl)pentane-2,4-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 | 0.4212 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.90 | kJ/mol | NIST |
| ΔfusH° | 12.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.437 | Crippen Calculated Property | |
| McVol | 126.720 | ml/mol | McGowan Calculated Property |
| Pc | 2940.89 | kPa | Joback Calculated Property |
| Tboil | 444.12 | K | Relay (1.0) Calculated Property |
| Tc | 639.96 | K | Relay (1.0) Calculated Property |
| Tfus | 278.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.64; 341.82] | J/mol×K | [489.30; 683.26] | 
|
| Cp,gas | 275.64 | J/mol×K | 489.30 | Joback Calculated Property |
| Cp,gas | 288.08 | J/mol×K | 521.63 | Joback Calculated Property |
| Cp,gas | 299.94 | J/mol×K | 553.95 | Joback Calculated Property |
| Cp,gas | 311.23 | J/mol×K | 586.28 | Joback Calculated Property |
| Cp,gas | 321.97 | J/mol×K | 618.61 | Joback Calculated Property |
| Cp,gas | 332.16 | J/mol×K | 650.93 | Joback Calculated Property |
| Cp,gas | 341.82 | J/mol×K | 683.26 | Joback Calculated Property |
| η | [0.0002999; 0.0073425] | Pa×s | [249.78; 489.30] |
|
| η | 0.0073425 | Pa×s | 249.78 | Joback Calculated Property |
| η | 0.0029847 | Pa×s | 289.70 | Joback Calculated Property |
| η | 0.0015088 | Pa×s | 329.62 | Joback Calculated Property |
| η | 0.0008839 | Pa×s | 369.54 | Joback Calculated Property |
| η | 0.0005747 | Pa×s | 409.46 | Joback Calculated Property |
| η | 0.0004034 | Pa×s | 449.38 | Joback Calculated Property |
| η | 0.0002999 | Pa×s | 489.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 3-(1-methylethyl)-.
Sources
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