- InChI
- InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3
- InChI Key
- TZMFJUDUGYTVRY-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CCC(=O)C(C)=O
- Molecular Weight1
- 100.12
- CAS
- 600-14-6
- Other Names
-
- 2,3-Pentadione
- 2,3-Pentandione
- Acetylpropionyl
- CH3C(O)C(O)C2H5
- Pentan-2,3-dione
- Pentane-2,3-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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -266.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.84 | kJ/mol | Phase d... |
| ΔvapH° | 40.22 | kJ/mol | Joback Calculated Property |
| log10WS | -0.48 | Crippen Calculated Property | |
| logPoct/wat | 0.554 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Inp | [650.00; 720.00] |
|
|
| Inp | 662.00 | NIST | |
| Inp | Outlier 653.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 675.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 691.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 703.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 660.00 | NIST | |
| Inp | 666.00 | NIST | |
| Inp | 669.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | Outlier 650.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 687.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 716.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 704.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 658.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | Outlier 720.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 714.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 690.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 668.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 709.00 | NIST | |
| Inp | 672.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 664.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | Outlier 651.00 | NIST | |
| Inp | Outlier 652.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 673.00 | NIST | |
| Inp | 676.00 | NIST | |
| Inp | 683.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 667.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 665.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 688.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 702.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 662.00 | NIST | |
| Inp | 700.00 | NIST | |
| Inp | 695.00 | NIST | |
| Inp | 674.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 681.00 | NIST | |
| Inp | 693.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 680.00 | NIST | |
| Inp | 662.00 | NIST | |
| I | [1026.00; 1102.00] |
|
|
| I | 1062.00 | NIST | |
| I | 1060.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1035.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1072.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1085.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1042.00 | NIST | |
| I | 1064.00 | NIST | |
| I | 1042.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1066.00 | NIST | |
| I | 1066.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1082.00 | NIST | |
| I | 1082.00 | NIST | |
| I | 1082.00 | NIST | |
| I | 1080.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1064.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1064.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1070.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1079.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1064.00 | NIST | |
| I | 1060.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1083.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1054.00 | NIST | |
| I | Outlier 1102.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1066.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1077.00 | NIST | |
| I | 1043.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1084.00 | NIST | |
| I | Outlier 1088.00 | NIST | |
| I | Outlier 1093.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1072.00 | NIST | |
| I | 1055.00 | NIST | |
| I | Outlier 1093.00 | NIST | |
| I | Outlier 1094.00 | NIST | |
| I | 1063.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1052.00 | NIST | |
| I | 1058.00 | NIST | |
| I | Outlier 1090.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1058.00 | NIST | |
| I | 1075.00 | NIST | |
| I | 1059.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1072.00 | NIST | |
| I | 1044.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1050.00 | NIST | |
| I | 1055.00 | NIST | |
| I | Outlier 1026.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1044.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1046.00 | NIST | |
| I | 1049.00 | NIST | |
| I | 1055.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1040.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1074.00 | NIST | |
| I | 1069.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1053.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1034.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1062.00 | NIST | |
| I | 1044.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1061.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1054.00 | NIST | |
| I | 1044.00 | NIST | |
| I | 1047.00 | NIST | |
| I | 1047.00 | NIST | |
| I | Outlier 1026.00 | NIST | |
| I | 1060.00 | NIST | |
| I | 1044.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1068.00 | NIST | |
| I | 1067.00 | NIST | |
| I | 1052.00 | NIST | |
| Tboil | [381.20; 384.20] | K |
|
| Tboil | 384.20 | K | NIST |
| Tboil | 381.20 | K | NIST |
| Tc | 613.03 | K | Joback Calculated Property |
| Tfus | 245.97 | K | Joback Calculated Property |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.11; 200.02] | J/mol×K | [421.54; 613.03] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 160 170 180 190 200 450 500 550 600 | ||||
| Cp,gas | 156.11 | J/mol×K | 421.54 | Joback Calculated Property |
| Cp,gas | 164.27 | J/mol×K | 453.45 | Joback Calculated Property |
| Cp,gas | 172.09 | J/mol×K | 485.37 | Joback Calculated Property |
| Cp,gas | 179.57 | J/mol×K | 517.28 | Joback Calculated Property |
| Cp,gas | 186.71 | J/mol×K | 549.20 | Joback Calculated Property |
| Cp,gas | 193.52 | J/mol×K | 581.11 | Joback Calculated Property |
| Cp,gas | 200.02 | J/mol×K | 613.03 | Joback Calculated Property |
| η | [0.0003666; 0.0031678] | Pa×s | [245.97; 421.54] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 2.50e-3 3.00e-3 250 300 350 400 | ||||
| η | 0.0031678 | Pa×s | 245.97 | Joback Calculated Property |
| η | 0.0018268 | Pa×s | 275.23 | Joback Calculated Property |
| η | 0.0011710 | Pa×s | 304.49 | Joback Calculated Property |
| η | 0.0008115 | Pa×s | 333.75 | Joback Calculated Property |
| η | 0.0005966 | Pa×s | 363.02 | Joback Calculated Property |
| η | 0.0004592 | Pa×s | 392.28 | Joback Calculated Property |
| η | 0.0003666 | Pa×s | 421.54 | Joback Calculated Property |
| ΔfusH | 7.84 | kJ/mol | 221.20 | NIST |
| Pvap | [15.37; 75.27] | kPa | [331.84; 373.80] |
|
|
T(K) Vapor pressure (kPa) 10 20 30 40 50 60 70 80 340 350 360 370 | ||||
| Pvap | 15.37 | kPa | 331.84 | Vapor L... |
| Pvap | 20.36 | kPa | 338.38 | Vapor L... |
| Pvap | 25.35 | kPa | 343.73 | Vapor L... |
| Pvap | 30.35 | kPa | 348.13 | Vapor L... |
| Pvap | 35.34 | kPa | 352.15 | Vapor L... |
| Pvap | 40.33 | kPa | 355.74 | Vapor L... |
| Pvap | 45.32 | kPa | 358.85 | Vapor L... |
| Pvap | 50.21 | kPa | 361.89 | Vapor L... |
| Pvap | 55.21 | kPa | 364.69 | Vapor L... |
| Pvap | 60.20 | kPa | 367.09 | Vapor L... |
| Pvap | 65.19 | kPa | 369.44 | Vapor L... |
| Pvap | 70.18 | kPa | 371.61 | Vapor L... |
| Pvap | 75.27 | kPa | 373.80 | Vapor L... |
| ρl | 982.00 | kg/m3 | 292.15 | Vapor L... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [281.92; 409.46] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.45607e+01 | |||
| Coefficient B | -3.35146e+03 | |||
| Coefficient C | -4.71100e+01 | |||
| Temperature range, min. | 281.92 | |||
| Temperature range, max. | 409.46 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400 | ||||
| Pvap | 1.33 | kPa | 281.92 | Calculated Property |
| Pvap | 3.00 | kPa | 296.09 | Calculated Property |
| Pvap | 6.20 | kPa | 310.26 | Calculated Property |
| Pvap | 11.89 | kPa | 324.43 | Calculated Property |
| Pvap | 21.39 | kPa | 338.60 | Calculated Property |
| Pvap | 36.46 | kPa | 352.78 | Calculated Property |
| Pvap | 59.26 | kPa | 366.95 | Calculated Property |
| Pvap | 92.44 | kPa | 381.12 | Calculated Property |
| Pvap | 139.07 | kPa | 395.29 | Calculated Property |
| Pvap | 202.64 | kPa | 409.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Pentanedione.
Mixtures
- 2,3-Pentanedione + Cyclohexane
- 1-Hexadecanol + 2,3-Pentanedione
- 2,3-Pentanedione + 1-Octadecanol
- 2,3-Pentanedione + 1-Eicosanol
- Tridecane + 2,3-Pentanedione
- Hexadecane + 2,3-Pentanedione
- Eicosane + 2,3-Pentanedione
- 2,3-Pentanedione + Acetaldehyde
- 2,3-Pentanedione + Acetone
- 2,3-Pentanedione + Water
- sodium chloride + 2,3-Pentanedione + Water
Sources
- Crippen Method
- Crippen Method
- Phase diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
- Vapor Liquid Equilibrium Data for 2,3-Pentanedione + (Acetaldehyde or Acetone) at (100, 150, and 200) kPa
- Activity Coefficients at Infinite Dilution of Volatile Compounds in Water: Effect of Temperature and Salt Concentration
- Vapor Liquid Equilibrium for Binary Systems of 2,3-Pentanedione with Diacetyl and Acetone
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.