- InChI
- InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
- InChI Key
- QSJXEFYPDANLFS-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- CC(=O)C(C)=O
- Molecular Weight1
- 86.09
- CAS
- 431-03-8
- Other Names
-
- Biacetyl
- Butane-2,3-dione
- Butanedione
- Diacetyl
- Dimethyl diketone
- Dimethyl glyoxal
- 2,3-Butadione
- 2,3-Diketobutane
- (CH3CO)2
- Glyoxal, dimethyl-
- Butadione
- UN 2346
- 2,3-Dioxobutane
- 2,3-Butandione
- Buta-2,3-dione
- Butan-2,3-dione
- NSC 8750
- butane-2,3-dione (diacetyl)
- 2,3-butanedione (diacetal)
- 2,3-butanedione (diacetyl)
- Butan-2,3-dione (diacetyl)
- Butanedione (diacetyl)
- 2,3 Butandione (Diacetyl)
- 2,3-butanodione
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.3809 | Relay (1.0) Calculated Property | |
| PAff | 801.90 | kJ/mol | NIST |
| BasG | 770.10 | kJ/mol | NIST |
| ΔcH°liquid | -2066.10 ± 0.79 | kJ/mol | NIST |
| EA | [0.69; 1.10] | eV |
|
| EA | 0.69 ± 0.10 | eV | NIST |
| EA | 1.10 | eV | NIST |
| ΔfG° | -275.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.80 | kJ/mol | NIST |
| ΔfH°liquid | -365.50 | kJ/mol | NIST |
| ΔfusH° | 9.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.70 ± 0.92 | kJ/mol | NIST |
| IE | [9.23; 9.72] | eV |
|
| IE | 9.30 | eV | NIST |
| IE | 9.23 ± 0.03 | eV | NIST |
| IE | 9.25 ± 0.03 | eV | NIST |
| IE | 9.57 ± 0.05 | eV | NIST |
| IE | 9.56 | eV | NIST |
| IE | 9.60 | eV | NIST |
| IE | 9.47 | eV | NIST |
| IE | 9.55 | eV | NIST |
| IE | 9.57 | eV | NIST |
| IE | 9.72 | eV | NIST |
| IE | 9.55 | eV | NIST |
| log10WS | 0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.164 | Crippen Calculated Property | |
| McVol | 70.360 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| Inp | [544.00; 623.00] |
|
|
| Inp | 572.00 | NIST | |
| Inp | 555.00 | NIST | |
| Inp | Outlier 550.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 579.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 623.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 574.00 | NIST | |
| Inp | 574.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 616.00 | NIST | |
| Inp | 621.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 582.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 618.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | Outlier 544.00 | NIST | |
| Inp | 579.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 583.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 611.00 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 609.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 599.00 | NIST | |
| Inp | 589.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 592.40 | NIST | |
| Inp | 585.00 | NIST | |
| Inp | 585.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 586.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 562.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 566.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 569.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 568.00 | NIST | |
| Inp | 616.00 | NIST | |
| Inp | 555.00 | NIST | |
| Inp | 561.00 | NIST | |
| Inp | 570.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 591.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 564.00 | NIST | |
| Inp | 555.00 | NIST | |
| Inp | 613.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 596.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 590.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 581.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 581.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 612.00 | NIST | |
| Inp | 593.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 610.00 | NIST | |
| Inp | 578.00 | NIST | |
| Inp | 578.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 584.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 580.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 594.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 592.00 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 560.00 | NIST | |
| Inp | 600.00 | NIST | |
| Inp | 580.00 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 563.00 | NIST | |
| Inp | 575.00 | NIST | |
| Inp | 619.00 | NIST | |
| Inp | 565.00 | NIST | |
| Inp | 587.00 | NIST | |
| Inp | 605.00 | NIST | |
| Inp | 606.00 | NIST | |
| Inp | 574.00 | NIST | |
| Inp | 608.00 | NIST | |
| Inp | 558.00 | NIST | |
| Inp | 588.00 | NIST | |
| Inp | 561.00 | NIST | |
| I | [935.00; 1020.00] |
|
|
| I | 971.00 | NIST | |
| I | 977.00 | NIST | |
| I | 978.00 | NIST | |
| I | 961.00 | NIST | |
| I | 980.00 | NIST | |
| I | 963.00 | NIST | |
| I | 963.00 | NIST | |
| I | 949.00 | NIST | |
| I | 955.00 | NIST | |
| I | 979.00 | NIST | |
| I | 984.00 | NIST | |
| I | 1005.00 | NIST | |
| I | 982.00 | NIST | |
| I | 991.00 | NIST | |
| I | 962.00 | NIST | |
| I | 978.00 | NIST | |
| I | 962.00 | NIST | |
| I | 970.00 | NIST | |
| I | 977.00 | NIST | |
| I | Outlier 1020.00 | NIST | |
| I | 971.00 | NIST | |
| I | 1002.00 | NIST | |
| I | 998.00 | NIST | |
| I | 976.00 | NIST | |
| I | 955.00 | NIST | |
| I | 983.00 | NIST | |
| I | 978.00 | NIST | |
| I | Outlier 1014.00 | NIST | |
| I | 999.00 | NIST | |
| I | 956.00 | NIST | |
| I | 980.00 | NIST | |
| I | 979.00 | NIST | |
| I | 979.00 | NIST | |
| I | 980.00 | NIST | |
| I | 1005.00 | NIST | |
| I | 965.00 | NIST | |
| I | 979.00 | NIST | |
| I | Outlier 940.00 | NIST | |
| I | 970.00 | NIST | |
| I | 956.00 | NIST | |
| I | 959.00 | NIST | |
| I | 951.00 | NIST | |
| I | 980.00 | NIST | |
| I | 981.00 | NIST | |
| I | 985.00 | NIST | |
| I | 980.00 | NIST | |
| I | 980.00 | NIST | |
| I | 960.00 | NIST | |
| I | 956.00 | NIST | |
| I | 981.00 | NIST | |
| I | 981.00 | NIST | |
| I | 1002.00 | NIST | |
| I | 951.00 | NIST | |
| I | 983.00 | NIST | |
| I | 980.00 | NIST | |
| I | 985.00 | NIST | |
| I | 980.00 | NIST | |
| I | 982.00 | NIST | |
| I | 982.00 | NIST | |
| I | 987.00 | NIST | |
| I | 958.00 | NIST | |
| I | 965.00 | NIST | |
| I | 963.00 | NIST | |
| I | 993.00 | NIST | |
| I | 993.00 | NIST | |
| I | 995.00 | NIST | |
| I | 995.00 | NIST | |
| I | 981.00 | NIST | |
| I | 955.00 | NIST | |
| I | 993.00 | NIST | |
| I | 979.00 | NIST | |
| I | 983.00 | NIST | |
| I | 985.00 | NIST | |
| I | 957.00 | NIST | |
| I | 982.00 | NIST | |
| I | 983.00 | NIST | |
| I | 956.00 | NIST | |
| I | 989.00 | NIST | |
| I | 986.00 | NIST | |
| I | 988.00 | NIST | |
| I | 989.00 | NIST | |
| I | Outlier 1012.00 | NIST | |
| I | 986.00 | NIST | |
| I | 967.00 | NIST | |
| I | Outlier 1012.00 | NIST | |
| I | Outlier 947.00 | NIST | |
| I | 982.00 | NIST | |
| I | 982.00 | NIST | |
| I | 976.00 | NIST | |
| I | Outlier 943.00 | NIST | |
| I | 999.00 | NIST | |
| I | 998.00 | NIST | |
| I | 982.00 | NIST | |
| I | 991.00 | NIST | |
| I | 980.00 | NIST | |
| I | 985.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 990.00 | NIST | |
| I | 976.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 991.00 | NIST | |
| I | 979.00 | NIST | |
| I | 989.00 | NIST | |
| I | 970.00 | NIST | |
| I | 987.00 | NIST | |
| I | 987.00 | NIST | |
| I | 984.00 | NIST | |
| I | 977.00 | NIST | |
| I | 970.00 | NIST | |
| I | 982.00 | NIST | |
| I | 982.00 | NIST | |
| I | 982.00 | NIST | |
| I | 978.00 | NIST | |
| I | 985.00 | NIST | |
| I | 968.00 | NIST | |
| I | 968.00 | NIST | |
| I | 976.00 | NIST | |
| I | 975.00 | NIST | |
| I | 999.00 | NIST | |
| I | 988.00 | NIST | |
| I | 964.00 | NIST | |
| I | 968.00 | NIST | |
| I | 993.00 | NIST | |
| I | 991.00 | NIST | |
| I | 968.00 | NIST | |
| I | 973.00 | NIST | |
| I | 991.00 | NIST | |
| I | 995.00 | NIST | |
| I | 998.00 | NIST | |
| I | 969.00 | NIST | |
| I | 967.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 999.00 | NIST | |
| I | 976.00 | NIST | |
| I | 987.00 | NIST | |
| I | 996.00 | NIST | |
| I | 990.00 | NIST | |
| I | 978.00 | NIST | |
| I | 971.00 | NIST | |
| I | 994.00 | NIST | |
| I | 995.00 | NIST | |
| I | 996.00 | NIST | |
| I | 983.00 | NIST | |
| I | 984.00 | NIST | |
| I | 963.00 | NIST | |
| I | 962.00 | NIST | |
| I | 962.00 | NIST | |
| I | 977.00 | NIST | |
| I | 980.00 | NIST | |
| I | 989.00 | NIST | |
| I | 973.00 | NIST | |
| I | 975.00 | NIST | |
| I | 955.00 | NIST | |
| I | 982.00 | NIST | |
| I | 962.00 | NIST | |
| I | 1005.00 | NIST | |
| I | 986.00 | NIST | |
| I | 977.00 | NIST | |
| I | 962.00 | NIST | |
| I | 962.00 | NIST | |
| I | 981.00 | NIST | |
| I | 987.00 | NIST | |
| I | 978.00 | NIST | |
| I | 972.00 | NIST | |
| I | 972.00 | NIST | |
| I | 975.00 | NIST | |
| I | 969.00 | NIST | |
| I | 987.00 | NIST | |
| I | 954.00 | NIST | |
| I | 970.00 | NIST | |
| I | 977.00 | NIST | |
| I | 966.00 | NIST | |
| I | 968.00 | NIST | |
| I | 990.00 | NIST | |
| I | 960.00 | NIST | |
| I | 967.00 | NIST | |
| I | 948.00 | NIST | |
| I | 963.00 | NIST | |
| I | Outlier 935.00 | NIST | |
| I | Outlier 938.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 975.00 | NIST | |
| I | 965.00 | NIST | |
| I | 987.00 | NIST | |
| I | 987.00 | NIST | |
| I | 957.00 | NIST | |
| I | 957.00 | NIST | |
| I | 960.00 | NIST | |
| I | 975.00 | NIST | |
| I | 975.00 | NIST | |
| I | 975.00 | NIST | |
| I | 986.00 | NIST | |
| I | 988.00 | NIST | |
| I | 981.00 | NIST | |
| I | 970.00 | NIST | |
| I | 991.00 | NIST | |
| I | 979.00 | NIST | |
| I | 963.00 | NIST | |
| I | 993.00 | NIST | |
| I | 995.00 | NIST | |
| I | Outlier 941.00 | NIST | |
| I | 977.00 | NIST | |
| I | 976.00 | NIST | |
| I | Outlier 935.00 | NIST | |
| I | 966.00 | NIST | |
| I | 970.00 | NIST | |
| I | 970.00 | NIST | |
| I | 981.00 | NIST | |
| I | 984.00 | NIST | |
| I | 963.00 | NIST | |
| I | 985.00 | NIST | |
| I | 980.00 | NIST | |
| I | 979.00 | NIST | |
| I | 970.00 | NIST | |
| I | 968.00 | NIST | |
| I | 990.00 | NIST | |
| I | 990.00 | NIST | |
| I | 976.00 | NIST | |
| I | 967.00 | NIST | |
| I | 967.00 | NIST | |
| I | 981.00 | NIST | |
| I | 984.00 | NIST | |
| I | 984.00 | NIST | |
| I | 962.00 | NIST | |
| I | 962.00 | NIST | |
| I | 980.00 | NIST | |
| I | 967.00 | NIST | |
| I | 980.00 | NIST | |
| I | 990.00 | NIST | |
| I | 963.00 | NIST | |
| I | 949.00 | NIST | |
| I | 972.00 | NIST | |
| I | 971.00 | NIST | |
| I | 963.00 | NIST | |
| I | 989.00 | NIST | |
| I | 986.00 | NIST | |
| I | 982.00 | NIST | |
| I | 990.00 | NIST | |
| I | 977.00 | NIST | |
| I | 978.00 | NIST | |
| I | 975.00 | NIST | |
| I | 1000.00 | NIST | |
| I | 957.00 | NIST | |
| I | 991.00 | NIST | |
| I | Outlier 941.00 | NIST | |
| I | 970.00 | NIST | |
| I | 985.00 | NIST | |
| I | 981.00 | NIST | |
| I | 980.00 | NIST | |
| I | 949.00 | NIST | |
| Tboil | [360.15; 361.20] | K |
|
| Tboil | 361.20 | K | NIST |
| Tboil | 361.15 ± 1.00 | K | NIST |
| Tboil | 361.15 ± 2.00 | K | NIST |
| Tboil | 360.15 ± 2.00 | K | NIST |
| Tc | 596.20 | K | Relay (1.0) Calculated Property |
| Tfus | 294.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.282 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.01; 157.05] | J/mol×K | [398.86; 592.05] |
|
| Cp,gas | 121.01 | J/mol×K | 398.86 | Joback Calculated Property |
| Cp,gas | 127.69 | J/mol×K | 431.06 | Joback Calculated Property |
| Cp,gas | 134.10 | J/mol×K | 463.26 | Joback Calculated Property |
| Cp,gas | 140.24 | J/mol×K | 495.45 | Joback Calculated Property |
| Cp,gas | 146.10 | J/mol×K | 527.65 | Joback Calculated Property |
| Cp,gas | 151.71 | J/mol×K | 559.85 | Joback Calculated Property |
| Cp,gas | 157.05 | J/mol×K | 592.05 | Joback Calculated Property |
| η | [0.0003607; 0.0028535] | Pa×s | [234.70; 398.86] |
|
| η | 0.0028535 | Pa×s | 234.70 | Joback Calculated Property |
| η | 0.0016886 | Pa×s | 262.06 | Joback Calculated Property |
| η | 0.0011034 | Pa×s | 289.42 | Joback Calculated Property |
| η | 0.0007760 | Pa×s | 316.78 | Joback Calculated Property |
| η | 0.0005772 | Pa×s | 344.14 | Joback Calculated Property |
| η | 0.0004484 | Pa×s | 371.50 | Joback Calculated Property |
| η | 0.0003607 | Pa×s | 398.86 | Joback Calculated Property |
| ΔvapH | [38.50; 39.60] | kJ/mol | [283.00; 310.50] |
|
| ΔvapH | 39.60 ± 0.20 | kJ/mol | 283.00 | NIST |
| ΔvapH | 38.50 | kJ/mol | 310.50 | NIST |
Similar Compounds
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