Chemical Properties of 2,3-Butanedione (CAS 431-03-8)

2,3-Butanedione

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
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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 Show Hide
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 Show Hide
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]   Show Hide
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]   Show Hide
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 Show Hide
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
ΔvapH [38.50; 39.60] kJ/mol [283.00; 310.50] Show Hide
ΔvapH 39.60 ± 0.20 kJ/mol 283.00 NIST
ΔvapH 38.50 kJ/mol 310.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [92.19; 203.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.39700e+01
Coefficient B3.27840e-01
Coefficient C-1.56400e-04
Coefficient D1.83200e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 92.19 J/mol×K 273.00 Calculated Property
Cp,gas 111.19 J/mol×K 353.78 Calculated Property
Cp,gas 128.40 J/mol×K 434.56 Calculated Property
Cp,gas 143.89 J/mol×K 515.33 Calculated Property
Cp,gas 157.70 J/mol×K 596.11 Calculated Property
Cp,gas 169.90 J/mol×K 676.89 Calculated Property
Cp,gas 180.55 J/mol×K 757.67 Calculated Property
Cp,gas 189.70 J/mol×K 838.44 Calculated Property
Cp,gas 197.40 J/mol×K 919.22 Calculated Property
Cp,gas 203.73 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0028535; 0.0003227] Pa×s [234.70; 414.43] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.08846e+01
Coefficient B1.17946e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.234.70
Temperature range, max.414.43
η 0.0028535 Pa×s 234.70 Calculated Property
η 0.0019241 Pa×s 254.67 Calculated Property
η 0.0013740 Pa×s 274.64 Calculated Property
η 0.0010270 Pa×s 294.61 Calculated Property
η 0.0007965 Pa×s 314.58 Calculated Property
η 0.0006368 Pa×s 334.55 Calculated Property
η 0.0005221 Pa×s 354.52 Calculated Property
η 0.0004372 Pa×s 374.49 Calculated Property
η 0.0003728 Pa×s 394.46 Calculated Property
η 0.0003227 Pa×s 414.43 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.65; 65.92] kPa [273.16; 348.16] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.27544e+01
Coefficient B-2.13475e+03
Coefficient C-9.89490e+01
ReferenceNeely and Hall, 1972
Temperature range, min.273.16
Temperature range, max.348.16
Pvap 1.65 kPa 273.16 Calculated Property
Pvap 2.89 kPa 281.49 Calculated Property
Pvap 4.81 kPa 289.83 Calculated Property
Pvap 7.68 kPa 298.16 Calculated Property
Pvap 11.81 kPa 306.49 Calculated Property
Pvap 17.56 kPa 314.83 Calculated Property
Pvap 25.36 kPa 323.16 Calculated Property
Pvap 35.68 kPa 331.49 Calculated Property
Pvap 49.01 kPa 339.83 Calculated Property
Pvap 65.92 kPa 348.16 Calculated Property

Similar Compounds

2,3-Butanedione. 2-Butanone. Methyl glyoxal. 2,3-Pentadione. Pyruvyl chloride or 2-oxo-propionyl chloride. 2-Butanone, 3,3-dimethyl-. 3,4-Hexanedione. Acetone. CH2COCH3. Acetone-D6. 3-Pentanone. 2,3-Butanedione, monooxime. 3-Buten-2-one, 3-methyl-. Propanoic acid, 2-oxo-. NCC(CH3)CO.

Find more compounds similar to 2,3-Butanedione.

Sources

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