Chemical Properties of 2-Butanone, 3,3-dimethyl- (CAS 75-97-8)

2-Butanone, 3,3-dimethyl-

Export as

InChI
InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3
InChI Key
PJGSXYOJTGTZAV-UHFFFAOYSA-N
Formula
C6H12O
SMILES
CC(=O)C(C)(C)C
Molecular Weight1
100.16
CAS
75-97-8
Other Names
  • .alpha.,.alpha.,.alpha.-trimethylacetone
  • 1,1,1-TRIMETHYLACETONE
  • 1,1-Dimethylethyl methyl ketone
  • 2,2-Dimethyl-3-butanone
  • 2,2-Dimethylbutanone
  • 3,3-DIMETHYL-2-BUTANONE
  • 3,3-Dimethyl-butan-2-one
  • 3,3-Dimethylbutanone
  • 3,3-dimethylbutanone-2
  • Ketone, t-butyl methyl
  • Ketone, tert-butyl methyl
  • Methyl t-butyl ketone
  • Methyl tert-butyl ketone
  • NSC 935
  • PINACOLINE
  • Pinacolin
  • Pinacolone
  • Pinakolin
  • t-Butyl methyl ketone
  • tert-Butyl methyl ketone
  • tert-C4H9COCH3
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
PAff 840.10 kJ/mol NIST
BasG [808.20; 810.00] kJ/mol Show Hide
BasG 808.20 kJ/mol NIST
BasG 810.00 ± 0.40 kJ/mol NIST
BasG 809.60 kJ/mol NIST
Δcliquid -3747.49 ± 0.81 kJ/mol NIST
Δf -126.44 kJ/mol Joback Calculated Property
Δfgas -290.67 ± 0.88 kJ/mol NIST
Δfliquid -328.54 ± 0.28 kJ/mol NIST
Δfus 5.48 kJ/mol Joback Calculated Property
Δvap [37.87; 38.30] kJ/mol Show Hide
Δvap 38.00 kJ/mol NIST
Δvap 38.30 kJ/mol NIST
Δvap 37.87 ± 0.08 kJ/mol NIST
Δvap 37.90 ± 0.10 kJ/mol NIST
IE [8.88; 9.40] eV Show Hide
IE 9.14 ± 0.03 eV NIST
IE Outlier 9.40 eV NIST
IE 9.12 ± 0.01 eV NIST
IE 9.17 ± 0.06 eV NIST
IE 9.11 ± 0.01 eV NIST
IE 9.24 eV NIST
IE Outlier 8.88 ± 0.04 eV NIST
IE 9.14 ± 0.01 eV NIST
IE 9.17 ± 0.03 eV NIST
IE 9.18 ± 0.03 eV NIST
IE 9.21 eV NIST
log10WS [-0.72; -0.72]   Show Hide
log10WS -0.72 Aq. Sol...
log10WS -0.72 Estimat...
logPoct/wat 1.621 Crippen Calculated Property
McVol 96.970 ml/mol McGowan Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Inp [665.00; 705.00]   Show Hide
Inp 693.10 NIST
Inp 697.44 NIST
Inp 690.48 NIST
Inp 691.81 NIST
Inp 693.30 NIST
Inp 695.47 NIST
Inp 697.00 NIST
Inp 692.00 NIST
Inp 693.00 NIST
Inp 696.00 NIST
Inp 698.00 NIST
Inp 675.00 NIST
Inp 685.00 NIST
Inp 672.00 NIST
Inp Outlier 665.00 NIST
Inp 692.00 NIST
Inp 692.00 NIST
Inp 681.00 NIST
Inp 705.00 NIST
Inp Outlier 665.00 NIST
Inp 693.00 NIST
Inp 692.00 NIST
Inp 695.00 NIST
Inp 692.00 NIST
Inp 692.00 NIST
Inp 693.00 NIST
Inp 705.00 NIST
Inp 698.00 NIST
Inp Outlier 665.00 NIST
Inp 692.00 NIST
Inp 693.10 NIST
Inp 695.47 NIST
Inp 698.00 NIST
I [949.00; 986.30]   Show Hide
I 986.30 NIST
I 968.50 NIST
I 974.30 NIST
I 980.20 NIST
I 978.00 NIST
I 978.00 NIST
I 949.00 NIST
I 978.00 NIST
I 968.00 NIST
I 960.00 NIST
I 986.30 NIST
I 949.00 NIST
I 978.00 NIST
liquid 282.40 J/mol×K NIST
Tboil [363.15; 447.50] K Show Hide
Tboil 379.20 K NIST
Tboil 379.30 K NIST
Tboil 378.63 ± 0.20 K NIST
Tboil 379.20 ± 0.50 K NIST
Tboil 379.40 ± 0.50 K NIST
Tboil 379.00 ± 0.30 K NIST
Tboil 378.35 ± 0.50 K NIST
Tboil 378.65 ± 0.50 K NIST
Tboil 377.00 ± 2.00 K NIST
Tboil 363.15 K NIST
Tboil 399.15 ± 0.50 K NIST
Tboil 383.40 ± 5.00 K NIST
Tboil 378.90 ± 0.50 K NIST
Tboil 378.15 ± 1.00 K NIST
Tboil 379.35 ± 0.50 K NIST
Tboil 378.15 ± 2.00 K NIST
Tboil 378.15 ± 1.00 K NIST
Tboil 379.35 ± 0.50 K NIST
Tboil 379.65 ± 0.50 K NIST
Tboil 378.75 ± 1.00 K NIST
Tboil 378.65 ± 0.50 K NIST
Tboil 379.20 ± 0.50 K NIST
Tboil 379.15 ± 1.50 K NIST
Tboil 379.65 ± 0.30 K NIST
Tboil 378.65 ± 2.00 K NIST
Tboil 378.85 ± 1.00 K NIST
Tboil 376.15 ± 5.00 K NIST
Tboil 379.00 ± 2.50 K NIST
Tboil Outlier 447.50 ± 0.30 K NIST
Tboil 377.15 ± 2.00 K NIST
Tboil 378.15 ± 3.00 K NIST
Tboil 379.40 ± 1.00 K NIST
Tboil 377.65 ± 1.00 K NIST
Tboil 378.95 ± 1.00 K NIST
Tboil 379.30 ± 1.00 K NIST
Tboil 378.15 ± 1.00 K NIST
Tboil 379.15 ± 0.50 K NIST
Tboil 378.15 ± 1.00 K NIST
Tc 562.90 K NIST
Tfus [220.65; 223.40] K Show Hide
Tfus 220.65 K Aq. Sol...
Tfus 220.65 ± 0.50 K NIST
Tfus 223.40 ± 2.00 K NIST
Tfus 220.65 ± 0.50 K NIST
Ttriple 221.74 ± 0.05 K NIST
Vc 0.366 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [182.00; 189.16] J/mol×K [385.67; 410.70] Show Hide
Cp,gas 182.00 ± 0.27 J/mol×K 385.67 NIST
Cp,gas 183.97 ± 0.28 J/mol×K 392.13 NIST
Cp,gas 185.98 ± 0.28 J/mol×K 399.53 NIST
Cp,gas 187.61 ± 0.28 J/mol×K 405.07 NIST
Cp,gas 189.16 ± 0.28 J/mol×K 410.70 NIST
Cp,liquid [206.90; 207.30] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 206.90 J/mol×K 298.15 NIST
Cp,liquid 207.30 J/mol×K 298.15 NIST
η [0.0003363; 0.0066076] Pa×s [209.73; 387.32] Show Hide
η 0.0066076 Pa×s 209.73 Joback Calculated Property
η 0.0029595 Pa×s 239.33 Joback Calculated Property
η 0.0015819 Pa×s 268.93 Joback Calculated Property
η 0.0009573 Pa×s 298.52 Joback Calculated Property
η 0.0006343 Pa×s 328.12 Joback Calculated Property
η 0.0004499 Pa×s 357.72 Joback Calculated Property
η 0.0003363 Pa×s 387.32 Joback Calculated Property
ΔfusH [11.33; 11.34] kJ/mol [221.70; 221.74] Show Hide
ΔfusH 11.34 kJ/mol 221.70 NIST
ΔfusH 11.34 kJ/mol 221.70 NIST
ΔfusH 11.33 kJ/mol 221.74 NIST
ΔvapH [33.10; 50.78] kJ/mol [308.00; 529.00] Show Hide
ΔvapH 37.80 ± 0.10 kJ/mol 308.00 NIST
ΔvapH 37.50 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 36.90 ± 0.10 kJ/mol 323.00 NIST
ΔvapH 36.70 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 35.80 ± 0.10 kJ/mol 338.00 NIST
ΔvapH 36.10 kJ/mol 338.00 NIST
ΔvapH 35.40 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 38.30 kJ/mol 345.50 NIST
ΔvapH 36.90 kJ/mol 346.00 NIST
ΔvapH 35.00 ± 0.10 kJ/mol 348.00 NIST
ΔvapH 33.39 kJ/mol 379.30 NIST
ΔvapH 34.90 kJ/mol 381.50 NIST
ΔvapH 50.78 kJ/mol 441.40 NIST
ΔvapH 33.80 kJ/mol 452.50 NIST
ΔvapH 33.10 kJ/mol 529.00 NIST
ΔfusS [51.04; 51.10] J/mol×K [221.70; 221.74] Show Hide
ΔfusS 51.04 J/mol×K 221.70 NIST
ΔfusS 51.10 J/mol×K 221.74 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [293.37; 407.54] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.59883e+01
Coefficient B-3.80943e+03
Coefficient C-5.07410e+01
Temperature range, min.293.37
Temperature range, max.407.54
Pvap 1.33 kPa 293.37 Calculated Property
Pvap 2.91 kPa 306.06 Calculated Property
Pvap 5.89 kPa 318.74 Calculated Property
Pvap 11.21 kPa 331.43 Calculated Property
Pvap 20.15 kPa 344.11 Calculated Property
Pvap 34.52 kPa 356.80 Calculated Property
Pvap 56.65 kPa 369.48 Calculated Property
Pvap 89.50 kPa 382.17 Calculated Property
Pvap 136.73 kPa 394.85 Calculated Property
Pvap 202.67 kPa 407.54 Calculated Property
Pvap [1.30; 203.00] kPa [277.15; 405.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.43512e+01
Coefficient B-6.93657e+03
Coefficient C-8.79890e+00
Coefficient D5.59014e-06
Temperature range, min.277.15
Temperature range, max.405.00
Pvap 1.30 kPa 277.15 Calculated Property
Pvap 2.97 kPa 291.36 Calculated Property
Pvap 6.19 kPa 305.56 Calculated Property
Pvap 11.96 kPa 319.77 Calculated Property
Pvap 21.63 kPa 333.97 Calculated Property
Pvap 36.93 kPa 348.18 Calculated Property
Pvap 60.01 kPa 362.38 Calculated Property
Pvap 93.40 kPa 376.59 Calculated Property
Pvap 139.99 kPa 390.79 Calculated Property
Pvap 203.00 kPa 405.00 Calculated Property

Similar Compounds

2-Butanone, 1-chloro-3,3-dimethyl-. 2-Butanone, 1-bromo-3,3-dimethyl-. 3,3-Dimethyl-2,4-pentane dione. 2-Pentanone, 3,3,4,4-tetramethyl-. 4,4-Dimethyl-3-oxopentanenitrile. 2-Butanone, 1,1-dichloro-3,3-dimethyl-. 3-Pentanone, 2,2-dimethyl-. 3-Pentanone, 2,2,4,4-tetramethyl-. 2-Butanone, 4-chloro-3,3-dimethyl. 1-Mercaptopinacolone. Pent-4-yn-3-one, 2,2-dimethyl-. 2-Butanone, 3-methyl-. Butane, 2,2,3,3-tetramethyl-. 3,5-Heptanedione, 2,2,6,6-tetramethyl-. Hex-4-yn-3-one, 2,2-dimethyl-.

Find more compounds similar to 2-Butanone, 3,3-dimethyl-.

Mixtures

Sources

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.

Login Register