- InChI
- InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3
- InChI Key
- GUARKOVVHJSMRW-UHFFFAOYSA-N
- Formula
- C7H12O2
- SMILES
- CCC(C(C)=O)C(C)=O
- Molecular Weight1
- 128.17
- CAS
- 1540-34-7
- Other Names
-
- 3-Acetyl-2-pentanone
- 3-Ethyl-2,4-pentanedione
- 3-Ethylacetylacetone
- 3-ethylpentane-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).
- Pvap : Vapor 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 | 0.4090 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.70 | kJ/mol | NIST |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.191 | Crippen Calculated Property | |
| McVol | 112.630 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 444.17 | K | Relay (1.0) Calculated Property |
| Tc | 626.21 | K | Relay (1.0) Calculated Property |
| Tfus | 262.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.387 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.52; 292.41] | J/mol×K | [466.86; 658.82] | 
|
| Cp,gas | 233.52 | J/mol×K | 466.86 | Joback Calculated Property |
| Cp,gas | 244.55 | J/mol×K | 498.85 | Joback Calculated Property |
| Cp,gas | 255.07 | J/mol×K | 530.85 | Joback Calculated Property |
| Cp,gas | 265.11 | J/mol×K | 562.84 | Joback Calculated Property |
| Cp,gas | 274.67 | J/mol×K | 594.83 | Joback Calculated Property |
| Cp,gas | 283.77 | J/mol×K | 626.83 | Joback Calculated Property |
| Cp,gas | 292.41 | J/mol×K | 658.82 | Joback Calculated Property |
| η | [0.0003337; 0.0049833] | Pa×s | [253.51; 466.86] |
|
| η | 0.0049833 | Pa×s | 253.51 | Joback Calculated Property |
| η | 0.0024070 | Pa×s | 289.07 | Joback Calculated Property |
| η | 0.0013635 | Pa×s | 324.63 | Joback Calculated Property |
| η | 0.0008641 | Pa×s | 360.19 | Joback Calculated Property |
| η | 0.0005944 | Pa×s | 395.74 | Joback Calculated Property |
| η | 0.0004349 | Pa×s | 431.30 | Joback Calculated Property |
| η | 0.0003337 | Pa×s | 466.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 353.70 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [338.32; 464.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.61017e+01 | |||
| Coefficient B | -4.29528e+03 | |||
| Coefficient C | -6.67090e+01 | |||
| Temperature range, min. | 338.32 | |||
| Temperature range, max. | 464.78 | |||
| Pvap | 1.33 | kPa | 338.32 | Calculated Property |
| Pvap | 2.90 | kPa | 352.37 | Calculated Property |
| Pvap | 5.87 | kPa | 366.42 | Calculated Property |
| Pvap | 11.16 | kPa | 380.47 | Calculated Property |
| Pvap | 20.06 | kPa | 394.52 | Calculated Property |
| Pvap | 34.38 | kPa | 408.58 | Calculated Property |
| Pvap | 56.46 | kPa | 422.63 | Calculated Property |
| Pvap | 89.28 | kPa | 436.68 | Calculated Property |
| Pvap | 136.54 | kPa | 450.73 | Calculated Property |
| Pvap | 202.64 | kPa | 464.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Pentanedione, 3-ethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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