- InChI
- InChI=1S/C6H10O2/c1-3-6(8)4-5(2)7/h3-4H2,1-2H3
- InChI Key
- NDOGLIPWGGRQCO-UHFFFAOYSA-N
- Formula
- C6H10O2
- SMILES
- CCC(=O)CC(C)=O
- Molecular Weight1
- 114.14
- CAS
- 3002-24-2
- Other Names
-
- Acetone, propionyl-
- Hexane-2,4-dione
- Propionylacetone
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.4268 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3281.00 ± 6.30 | kJ/mol | NIST |
| ΔfG° | -258.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.70 | kJ/mol | NIST |
| ΔfH°liquid | -505.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 14.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.00 ± 0.30 | kJ/mol | NIST |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.945 | Crippen Calculated Property | |
| McVol | 98.540 | ml/mol | McGowan Calculated Property |
| Pc | 3594.25 | kPa | Joback Calculated Property |
| Inp | [862.00; 900.00] |
|
|
| Inp | 888.20 | NIST | |
| Inp | 892.19 | NIST | |
| Inp | 895.93 | NIST | |
| Inp | 900.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 885.00 | NIST | |
| Inp | Outlier 862.00 | NIST | |
| I | 1209.00 | NIST | |
| Tboil | 431.20 | K | NIST |
| Tc | 622.06 | K | Relay (1.0) Calculated Property |
| Tfus | 293.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.359 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.61; 244.62] | J/mol×K | [444.42; 634.10] |
|
| Cp,gas | 193.61 | J/mol×K | 444.42 | Joback Calculated Property |
| Cp,gas | 203.11 | J/mol×K | 476.03 | Joback Calculated Property |
| Cp,gas | 212.20 | J/mol×K | 507.65 | Joback Calculated Property |
| Cp,gas | 220.89 | J/mol×K | 539.26 | Joback Calculated Property |
| Cp,gas | 229.18 | J/mol×K | 570.87 | Joback Calculated Property |
| Cp,gas | 237.09 | J/mol×K | 602.49 | Joback Calculated Property |
| Cp,gas | 244.62 | J/mol×K | 634.10 | Joback Calculated Property |
| η | [0.0003624; 0.0034020] | Pa×s | [257.24; 444.42] |
|
| η | 0.0034020 | Pa×s | 257.24 | Joback Calculated Property |
| η | 0.0019141 | Pa×s | 288.44 | Joback Calculated Property |
| η | 0.0012049 | Pa×s | 319.63 | Joback Calculated Property |
| η | 0.0008236 | Pa×s | 350.83 | Joback Calculated Property |
| η | 0.0005990 | Pa×s | 382.03 | Joback Calculated Property |
| η | 0.0004571 | Pa×s | 413.22 | Joback Calculated Property |
| η | 0.0003624 | Pa×s | 444.42 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 327.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [323.52; 457.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.51538e+01 | |||
| Coefficient B | -3.89425e+03 | |||
| Coefficient C | -6.15660e+01 | |||
| Temperature range, min. | 323.52 | |||
| Temperature range, max. | 457.23 | |||
| Pvap | 1.33 | kPa | 323.52 | Calculated Property |
| Pvap | 2.96 | kPa | 338.38 | Calculated Property |
| Pvap | 6.06 | kPa | 353.23 | Calculated Property |
| Pvap | 11.58 | kPa | 368.09 | Calculated Property |
| Pvap | 20.83 | kPa | 382.95 | Calculated Property |
| Pvap | 35.58 | kPa | 397.80 | Calculated Property |
| Pvap | 58.09 | kPa | 412.66 | Calculated Property |
| Pvap | 91.13 | kPa | 427.52 | Calculated Property |
| Pvap | 138.03 | kPa | 442.37 | Calculated Property |
| Pvap | 202.64 | kPa | 457.23 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Hexanedione.
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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