Chemical Properties of 3-Pentanone, 2,2,4,4-tetramethyl- (CAS 815-24-7)

3-Pentanone, 2,2,4,4-tetramethyl-

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InChI
InChI=1S/C9H18O/c1-8(2,3)7(10)9(4,5)6/h1-6H3
InChI Key
UIQGEWJEWJMQSL-UHFFFAOYSA-N
Formula
C9H18O
SMILES
CC(C)(C)C(=O)C(C)(C)C
Molecular Weight1
142.24
CAS
815-24-7
Other Names
  • (t-C4H9)2CO
  • 2,2,4,4-Tetramethyl-3-pentanone
  • 2,2,4,4-Tetramethyl-pentan-3-one
  • Di-tert-butyl ketone
  • Hexamethylacetone
  • Pivalone

Physical Properties

Property Value Unit Source
PAff 861.30 kJ/mol NIST
BasG 831.50 kJ/mol NIST
Δcliquid -5722.90 ± 1.10 kJ/mol NIST
Δf -98.34 kJ/mol Joback Calculated Property
Δfgas -345.80 ± 1.20 kJ/mol NIST
Δfliquid -391.20 ± 1.20 kJ/mol NIST
Δfus 5.84 kJ/mol Joback Calculated Property
Δvap [45.35; 45.50] kJ/mol Show Hide
Δvap 45.50 ± 0.40 kJ/mol NIST
Δvap 45.35 ± 0.09 kJ/mol NIST
Δvap 45.40 ± 0.10 kJ/mol NIST
Δvap 45.40 ± 0.10 kJ/mol NIST
Δvap 45.40 ± 0.08 kJ/mol NIST
IE [8.65; 8.79] eV Show Hide
IE 8.67 ± 0.02 eV NIST
IE 8.67 ± 0.01 eV NIST
IE 8.79 ± 0.05 eV NIST
IE 8.71 ± 0.02 eV NIST
IE 8.65 ± 0.03 eV NIST
log10WS -2.39 Crippen Calculated Property
logPoct/wat 2.648 Crippen Calculated Property
McVol 139.240 ml/mol McGowan Calculated Property
Pc 2548.19 kPa Joback Calculated Property
Inp [900.00; 955.00]   Show Hide
Inp 900.00 NIST
Inp 916.70 NIST
Inp 930.00 NIST
Inp 900.00 NIST
Inp 955.00 NIST
Inp 916.70 NIST
Tboil 452.73 K Joback Calculated Property
Tc 649.78 K Joback Calculated Property
Tfus 247.91 ± 0.10 K NIST
Vc 0.523 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [302.55; 385.96] J/mol×K [452.73; 649.78] Show Hide
Cp,gas 302.55 J/mol×K 452.73 Joback Calculated Property
Cp,gas 318.74 J/mol×K 485.57 Joback Calculated Property
Cp,gas 333.95 J/mol×K 518.41 Joback Calculated Property
Cp,gas 348.22 J/mol×K 551.25 Joback Calculated Property
Cp,gas 361.62 J/mol×K 584.10 Joback Calculated Property
Cp,gas 374.18 J/mol×K 616.94 Joback Calculated Property
Cp,gas 385.96 J/mol×K 649.78 Joback Calculated Property
η [0.0002944; 0.0097546] Pa×s [245.96; 452.73] Show Hide
η 0.0097546 Pa×s 245.96 Joback Calculated Property
η 0.0038032 Pa×s 280.42 Joback Calculated Property
η 0.0018223 Pa×s 314.88 Joback Calculated Property
η 0.0010096 Pa×s 349.35 Joback Calculated Property
η 0.0006219 Pa×s 383.81 Joback Calculated Property
η 0.0004149 Pa×s 418.27 Joback Calculated Property
η 0.0002944 Pa×s 452.73 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [317.62; 451.07] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.50349e+01
Coefficient B-3.80892e+03
Coefficient C-5.93420e+01
Temperature range, min.317.62
Temperature range, max.451.07
Pvap 1.33 kPa 317.62 Calculated Property
Pvap 2.97 kPa 332.45 Calculated Property
Pvap 6.09 kPa 347.28 Calculated Property
Pvap 11.64 kPa 362.10 Calculated Property
Pvap 20.94 kPa 376.93 Calculated Property
Pvap 35.76 kPa 391.76 Calculated Property
Pvap 58.32 kPa 406.59 Calculated Property
Pvap 91.39 kPa 421.41 Calculated Property
Pvap 138.25 kPa 436.24 Calculated Property
Pvap 202.67 kPa 451.07 Calculated Property

Similar Compounds

1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-. 2,2,4-Trimethyl-3-pentanone. 2-Butanone, 3,3-dimethyl-. Hexamethylcyclohexane-1,3,5-trione. Pent-4-yn-3-one, 2,2-dimethyl-. 3-Pentanone, 2,2-dimethyl-. 2-Pentanone, 3,3,4,4-tetramethyl-. 4,4-Dimethyl-3-oxopentanenitrile. Pentane, 2,2,4,4-tetramethyl-. Hex-4-yn-3-one, 2,2-dimethyl-. 3,3-Dimethyl-2,4-pentane dione. 2-Butanone, 1-chloro-3,3-dimethyl-. 3,5-Heptanedione, 2,2,6,6-tetramethyl-. 2-Butanone, 1,1-dichloro-3,3-dimethyl-. 3-Pentanone, 2,4-dimethyl-.

Find more compounds similar to 3-Pentanone, 2,2,4,4-tetramethyl-.

Sources

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