Chemical Properties of 3-Pentanone, 2,4-dimethyl- (CAS 565-80-0)

3-Pentanone, 2,4-dimethyl-

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InChI
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChI Key
HXVNBWAKAOHACI-UHFFFAOYSA-N
Formula
C7H14O
SMILES
CC(C)C(=O)C(C)C
Molecular Weight1
114.19
CAS
565-80-0
Other Names
  • (iso-C3H7)2CO
  • 2,4-DIMETHYL-3-PENTANONE
  • 2,4-Dimethylpentan-3-one
  • 2,4-dimethyl-3-pentanone (diisopropyl ketone)
  • Diisopropyl ketone
  • ISOBUTYRONE
  • Isopropyl ketone
  • isobutyron
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Physical Properties

Property Value Unit Source
PAff 850.30 kJ/mol NIST
BasG 820.50 kJ/mol NIST
Δcliquid -4402.50 ± 1.10 kJ/mol NIST
Δf -125.74 kJ/mol Joback Calculated Property
Δfgas -311.30 ± 1.10 kJ/mol NIST
Δfliquid -352.90 ± 1.10 kJ/mol NIST
Δfus 8.44 kJ/mol Joback Calculated Property
Δvap [41.50; 41.60] kJ/mol Show Hide
Δvap 41.55 ± 0.07 kJ/mol NIST
Δvap 41.60 ± 0.10 kJ/mol NIST
Δvap 41.50 ± 0.10 kJ/mol NIST
Δvap 41.50 ± 0.08 kJ/mol NIST
IE [8.94; 8.99] eV Show Hide
IE 8.96 ± 0.02 eV NIST
IE 8.95 ± 0.01 eV NIST
IE 8.94 ± 0.01 eV NIST
IE 8.99 ± 0.04 eV NIST
IE 8.96 ± 0.01 eV NIST
log10WS [-1.30; -1.30]   Show Hide
log10WS -1.30 Aq. Sol...
log10WS -1.30 Estimat...
logPoct/wat 1.868 Crippen Calculated Property
McVol 111.060 ml/mol McGowan Calculated Property
Pc 3049.04 kPa Joback Calculated Property
Inp [123.88; 821.00]   Show Hide
Inp 779.00 NIST
Inp 783.11 NIST
Inp 776.47 NIST
Inp 777.67 NIST
Inp 779.36 NIST
Inp 781.05 NIST
Inp 783.00 NIST
Inp 778.00 NIST
Inp 779.00 NIST
Inp 781.00 NIST
Inp 742.00 NIST
Inp 759.00 NIST
Inp 768.00 NIST
Inp 756.00 NIST
Inp 749.00 NIST
Inp 783.00 NIST
Inp 806.00 NIST
Inp 806.00 NIST
Inp 821.00 NIST
Inp 793.00 NIST
Inp 794.00 NIST
Inp 783.00 NIST
Inp 794.00 NIST
Inp 749.00 NIST
Inp 779.00 NIST
Inp 783.00 NIST
Inp 779.00 NIST
Inp Outlier 123.88 NIST
Inp 794.00 NIST
Inp 779.00 NIST
Inp 781.05 NIST
Inp 742.00 NIST
I [995.00; 1048.00]   Show Hide
I 1033.20 NIST
I 1014.80 NIST
I 1020.80 NIST
I 1026.90 NIST
I 1048.00 NIST
I 1007.00 NIST
I 1007.00 NIST
I 1011.00 NIST
I 1007.00 NIST
I 1011.00 NIST
I 1041.00 NIST
I 1000.00 NIST
I 995.00 NIST
I 1007.00 NIST
I 1033.20 NIST
I 1048.00 NIST
I 1011.00 NIST
liquid 318.00 J/mol×K NIST
Tboil 412.55 K Joback Calculated Property
Tc 597.41 K Joback Calculated Property
Tfus [193.00; 204.12] K Show Hide
Tfus 193.00 ± 6.00 K NIST
Tfus 204.12 ± 0.05 K NIST
Ttriple 204.81 ± 0.07 K NIST
Vc 0.421 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [215.47; 280.65] J/mol×K [412.55; 597.41] Show Hide
Cp,gas 215.47 J/mol×K 412.55 Joback Calculated Property
Cp,gas 227.54 J/mol×K 443.36 Joback Calculated Property
Cp,gas 239.12 J/mol×K 474.17 Joback Calculated Property
Cp,gas 250.20 J/mol×K 504.98 Joback Calculated Property
Cp,gas 260.81 J/mol×K 535.79 Joback Calculated Property
Cp,gas 270.96 J/mol×K 566.60 Joback Calculated Property
Cp,gas 280.65 J/mol×K 597.41 Joback Calculated Property
Cp,liquid 233.70 J/mol×K 298.15 NIST
η [0.0002786; 0.0114681] Pa×s [188.58; 412.55] Show Hide
η 0.0114681 Pa×s 188.58 Joback Calculated Property
η 0.0036989 Pa×s 225.91 Joback Calculated Property
η 0.0016445 Pa×s 263.24 Joback Calculated Property
η 0.0008942 Pa×s 300.56 Joback Calculated Property
η 0.0005563 Pa×s 337.89 Joback Calculated Property
η 0.0003803 Pa×s 375.22 Joback Calculated Property
η 0.0002786 Pa×s 412.55 Joback Calculated Property
ΔfusH [11.18; 11.20] kJ/mol [204.80; 204.81] Show Hide
ΔfusH 11.20 kJ/mol 204.80 NIST
ΔfusH 11.20 kJ/mol 204.80 NIST
ΔfusH 11.18 kJ/mol 204.81 NIST
ΔvapH 39.40 kJ/mol 360.00 NIST
n0 1.39740 298.15 Isother...
ΔfusS 54.58 J/mol×K 204.81 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [295.54; 422.97] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.49262e+01
Coefficient B-3.56992e+03
Coefficient C-5.16690e+01
Temperature range, min.295.54
Temperature range, max.422.97
Pvap 1.33 kPa 295.54 Calculated Property
Pvap 2.98 kPa 309.70 Calculated Property
Pvap 6.11 kPa 323.86 Calculated Property
Pvap 11.69 kPa 338.02 Calculated Property
Pvap 21.04 kPa 352.18 Calculated Property
Pvap 35.91 kPa 366.33 Calculated Property
Pvap 58.53 kPa 380.49 Calculated Property
Pvap 91.63 kPa 394.65 Calculated Property
Pvap 138.43 kPa 408.81 Calculated Property
Pvap 202.66 kPa 422.97 Calculated Property

Similar Compounds

3-Pentanone, 2-methyl-. 2,2,4-Trimethyl-3-pentanone. 2-Butanone, 3-methyl-. 2,3-Pentanedione, 4-methyl-. 3-Hexanone, 2-methyl-. 3-Pentanone, 4-chloro-2-methyl. 3,5-Heptanedione, 2,6-dimethyl-. 3-Hexanone, 2,5-dimethyl-. 3-Pentanone, 2,2-dimethyl-. 3-Heptanone, 2-methyl-. 2,2,4-Trimethyl-3-oxovaleraldehyde. 3,8-Decanedione, 2,9-dimethyl-. 5-Methylhexane-2,4-dione, keto form. 3-Hexanone, 2,4-dimethyl-. 3-Octanone, 2-methyl-.

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

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.