- InChI
- InChI=1S/C8H12O2/c1-4-5-8(6(2)9)7(3)10/h4,8H,1,5H2,2-3H3
- InChI Key
- QBQVCCUJHAORJO-UHFFFAOYSA-N
- Formula
- C8H12O2
- SMILES
- C=CCC(C(C)=O)C(C)=O
- Molecular Weight1
- 140.18
- CAS
- 3508-78-9
- Other Names
-
- 2,4-Pentanedione, 3-allyl-
- 3-Allyl-2,4-pentanedione
- 3-Allylacetylacetone
- 2-Allyl-1-mehtylbutandione-1,3
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3756 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.357 | Crippen Calculated Property | |
| McVol | 122.420 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Tboil | 472.20 | K | NIST |
| Tc | 642.18 | K | Relay (1.0) Calculated Property |
| Tfus | 245.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.402 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.98; 318.48] | J/mol×K | [486.42; 680.14] | 
|
| Cp,gas | 257.98 | J/mol×K | 486.42 | Joback Calculated Property |
| Cp,gas | 269.42 | J/mol×K | 518.71 | Joback Calculated Property |
| Cp,gas | 280.29 | J/mol×K | 550.99 | Joback Calculated Property |
| Cp,gas | 290.62 | J/mol×K | 583.28 | Joback Calculated Property |
| Cp,gas | 300.42 | J/mol×K | 615.57 | Joback Calculated Property |
| Cp,gas | 309.70 | J/mol×K | 647.86 | Joback Calculated Property |
| Cp,gas | 318.48 | J/mol×K | 680.14 | Joback Calculated Property |
| η | [0.0003200; 0.0046183] | Pa×s | [263.02; 486.42] |
|
| η | 0.0046183 | Pa×s | 263.02 | Joback Calculated Property |
| η | 0.0022463 | Pa×s | 300.25 | Joback Calculated Property |
| η | 0.0012809 | Pa×s | 337.49 | Joback Calculated Property |
| η | 0.0008166 | Pa×s | 374.72 | Joback Calculated Property |
| η | 0.0005648 | Pa×s | 411.95 | Joback Calculated Property |
| η | 0.0004152 | Pa×s | 449.19 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 486.42 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 365.20 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 3-(2-propenyl)-.
Sources
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