Chemical Properties of 2-Pentanone, 4,4-dimethyl- (CAS 590-50-1)

2-Pentanone, 4,4-dimethyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C7H14O/c1-6(8)5-7(2,3)4/h5H2,1-4H3
InChI Key
AZASWMGVGQEVCS-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CC(=O)CC(C)(C)C
Molecular Weight1
114.19
CAS
590-50-1
Other Names
  • 4,4-Dimethyl-2-pentanone
  • 4,4-dimethylpentan-2-one
  • Methyl neoamyl ketone
  • Methyl neopentyl ketone
  • Neopentyl methyl ketone
  • neo-C5H11COCH3
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
Δf -118.02 kJ/mol Joback Calculated Property
Δfgas -320.50 ± 1.90 kJ/mol NIST
Δfus 8.07 kJ/mol Joback Calculated Property
Δvap 36.63 kJ/mol Joback Calculated Property
IE 9.23 ± 0.01 eV NIST
log10WS -1.79 Crippen Calculated Property
logPoct/wat 2.012 Crippen Calculated Property
McVol 111.060 ml/mol McGowan Calculated Property
Pc 3059.17 kPa Joback Calculated Property
Inp [750.00; 765.00]   Show Hide
Inp 750.00 NIST
Inp 765.00 NIST
Inp 750.00 NIST
I [1025.00; 1025.00]   Show Hide
I 1025.00 NIST
I 1025.00 NIST
Tboil 410.20 K Joback Calculated Property
Tc 598.48 K Joback Calculated Property
Tfus 221.00 K Joback Calculated Property
Vc 0.422 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [217.39; 284.48] J/mol×K [410.20; 598.48] Show Hide
Cp,gas 217.39 J/mol×K 410.20 Joback Calculated Property
Cp,gas 230.12 J/mol×K 441.58 Joback Calculated Property
Cp,gas 242.19 J/mol×K 472.96 Joback Calculated Property
Cp,gas 253.64 J/mol×K 504.34 Joback Calculated Property
Cp,gas 264.49 J/mol×K 535.72 Joback Calculated Property
Cp,gas 274.76 J/mol×K 567.10 Joback Calculated Property
Cp,gas 284.48 J/mol×K 598.48 Joback Calculated Property
η [0.0003249; 0.0067880] Pa×s [221.00; 410.20] Show Hide
η 0.0067880 Pa×s 221.00 Joback Calculated Property
η 0.0029812 Pa×s 252.53 Joback Calculated Property
η 0.0015717 Pa×s 284.07 Joback Calculated Property
η 0.0009417 Pa×s 315.60 Joback Calculated Property
η 0.0006193 Pa×s 347.13 Joback Calculated Property
η 0.0004367 Pa×s 378.67 Joback Calculated Property
η 0.0003249 Pa×s 410.20 Joback Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [296.02; 422.80] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49880e+01
Coefficient B-3.58960e+03
Coefficient C-5.18360e+01
Temperature range, min.296.02
Temperature range, max.422.80
Pvap 1.33 kPa 296.02 Calculated Property
Pvap 2.97 kPa 310.11 Calculated Property
Pvap 6.10 kPa 324.19 Calculated Property
Pvap 11.66 kPa 338.28 Calculated Property
Pvap 20.98 kPa 352.37 Calculated Property
Pvap 35.82 kPa 366.45 Calculated Property
Pvap 58.41 kPa 380.54 Calculated Property
Pvap 91.50 kPa 394.63 Calculated Property
Pvap 138.33 kPa 408.71 Calculated Property
Pvap 202.67 kPa 422.80 Calculated Property

Similar Compounds

Neopentyl ethyl ketone. Cyclohexanone, 3,3,5,5-tetramethyl-. 1,3-Cyclohexanedione, 5,5-dimethyl-. 2,7-Octanedione, 4,4,5,5-tetramethyl-. Pentane, 2,2,4,4-tetramethyl-. Methyl Isobutyl Ketone. 2-Pentanone, 4-methyl-1,1,1,3,3-d5-. 2,2,5,5-Tetramethyl-3-hexanone. Neopentyl isobutyl ketone. 1-t-Butyl-2-hexanone. Butanal, 3,3-dimethyl-. 3,3-Dimethylbutanal. Cyclohexane-1,3-dione, 2-acetyl-5,5-dimethyl-. 4-Heptanone, 2,6-dimethyl-. 3,3-dimethylcyclohexanone.

Find more compounds similar to 2-Pentanone, 4,4-dimethyl-.

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.