Chemical Properties of 3-Penten-2-one, 4-methyl- (CAS 141-79-7)

3-Penten-2-one, 4-methyl-

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InChI
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
InChI Key
SHOJXDKTYKFBRD-UHFFFAOYSA-N
Formula
C6H10O
SMILES
CC(=O)C=C(C)C
Molecular Weight1
98.14
CAS
141-79-7
Other Names
  • (CH3)2C=CHC(=O)CH3
  • 2,2-Dimethylvinyl methyl ketone
  • 2-Methyl-2-penten-4-one
  • 2-Methyl-2-pentenone-4
  • 2-Methyl-4-oxo-2-pentene
  • 2-Methylpent-2-en-4-one
  • 3-Isohexen-2-one
  • 4-METHYL-3-PENTEN-2-ONE
  • 4-Methyl-3-penten-2-on
  • 4-Methyl-3-pentene-2-one
  • 4-Methylpent-3-en-2-one
  • 4-Metil-3-penten-2-one
  • 4-methyl-3-penten-2-one (mesityl oxide)
  • Acetone, isopropylidene-
  • ISOBUTENYL METHYL KETONE
  • ISOPROPYLIDENEACETONE
  • MIBK
  • Mesityl oxide
  • Mesityloxid
  • Mesityloxyde
  • Methyl 2,2-dimethylvinyl ketone
  • Methyl 2-methyl-1-propenyl ketone
  • Methyl isobutenyl ketone
  • NSC 38717
  • Ossido di mesitile
  • Oxyde de mesityle
  • UN 1229
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Physical Properties

Property Value Unit Source
PAff 878.70 kJ/mol NIST
BasG 846.90 kJ/mol NIST
Δcliquid [-3571.00; -3540.00] kJ/mol Show Hide
Δcliquid -3569.23 ± 0.48 kJ/mol NIST
Δcliquid -3571.00 ± 0.80 kJ/mol NIST
Δcliquid -3540.00 kJ/mol NIST
Δcliquid -3549.00 kJ/mol NIST
Δf -57.61 kJ/mol Joback Calculated Property
Δfgas [-184.50; -178.28] kJ/mol Show Hide
Δfgas -178.28 ± 0.64 kJ/mol NIST
Δfgas -184.50 ± 2.50 kJ/mol NIST
Δfliquid [-220.98; -219.00] kJ/mol Show Hide
Δfliquid -220.98 ± 0.58 kJ/mol NIST
Δfliquid -219.00 ± 0.80 kJ/mol NIST
Δfus 11.79 kJ/mol Joback Calculated Property
Δvap [42.70; 44.80] kJ/mol Show Hide
Δvap 42.70 ± 0.28 kJ/mol NIST
Δvap 42.70 ± 0.30 kJ/mol NIST
Δvap 44.80 kJ/mol NIST
Δvap 43.30 kJ/mol NIST
IE [8.89; 9.11] eV Show Hide
IE 9.10 ± 0.02 eV NIST
IE 9.11 eV NIST
IE 9.08 ± 0.03 eV NIST
IE 8.89 ± 0.05 eV NIST
log10WS -1.47 Crippen Calculated Property
logPoct/wat 1.542 Crippen Calculated Property
McVol 92.670 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 3 KDB
Pc 4000.00 ± 150.00 kPa NIST
ρc 277.74 ± 9.81 kg/m3 NIST
Inp [771.00; 804.00]   Show Hide
Inp Outlier 771.00 NIST
Inp 782.00 NIST
Inp 778.00 NIST
Inp 792.00 NIST
Inp 798.00 NIST
Inp 801.10 NIST
Inp 778.00 NIST
Inp 792.00 NIST
Inp 800.00 NIST
Inp 780.00 NIST
Inp 787.00 NIST
Inp 798.00 NIST
Inp 804.00 NIST
Inp 782.00 NIST
Inp 797.00 NIST
Inp 798.00 NIST
Inp 798.00 NIST
Inp 802.00 NIST
Inp 798.00 NIST
Inp 798.00 NIST
Inp 783.00 NIST
Inp 804.00 NIST
Inp 783.00 NIST
Inp 798.00 NIST
Inp 804.00 NIST
Inp 778.00 NIST
I [1110.00; 1159.00]   Show Hide
I 1118.00 NIST
I 1118.00 NIST
I Outlier 1159.00 NIST
I 1131.00 NIST
I 1136.00 NIST
I 1125.00 NIST
I 1114.00 NIST
I Outlier 1152.00 NIST
I 1129.00 NIST
I 1113.00 NIST
I 1110.00 NIST
I 1110.00 NIST
I 1127.00 NIST
I 1127.00 NIST
I 1140.00 NIST
I 1131.00 NIST
I 1111.00 NIST
I 1127.00 NIST
I 1128.00 NIST
I 1125.00 NIST
I 1137.00 NIST
I 1125.00 NIST
I 1118.00 NIST
I 1114.00 NIST
I 1110.00 NIST
I 1140.00 NIST
Tboil [401.40; 403.15] K Show Hide
Tboil 402.90 K NIST
Tboil 402.95 K NIST
Tboil 402.05 ± 1.00 K NIST
Tboil 403.15 ± 1.50 K NIST
Tboil 401.40 ± 1.50 K NIST
Tboil 402.60 ± 0.50 K NIST
Tboil 402.60 ± 0.50 K NIST
Tboil 401.54 ± 0.30 K NIST
Tboil 403.15 ± 1.00 K NIST
Tc 605.00 ± 2.00 K NIST
Tfus [220.30; 226.75] K Show Hide
Tfus 226.75 K NIST
Tfus 220.30 ± 0.30 K NIST
Vc 0.358 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [162.72; 215.42] J/mol×K [394.59; 585.25] Show Hide
Cp,gas 162.72 J/mol×K 394.59 Joback Calculated Property
Cp,gas 172.66 J/mol×K 426.37 Joback Calculated Property
Cp,gas 182.11 J/mol×K 458.14 Joback Calculated Property
Cp,gas 191.09 J/mol×K 489.92 Joback Calculated Property
Cp,gas 199.62 J/mol×K 521.70 Joback Calculated Property
Cp,gas 207.73 J/mol×K 553.47 Joback Calculated Property
Cp,gas 215.42 J/mol×K 585.25 Joback Calculated Property
ΔfusH 12.10 kJ/mol 229.60 NIST
ΔvapH [33.50; 41.50] kJ/mol [359.00; 435.00] Show Hide
ΔvapH 41.50 kJ/mol 359.00 NIST
ΔvapH 41.40 ± 0.30 kJ/mol 372.50 NIST
ΔvapH 39.10 ± 0.30 kJ/mol 372.50 NIST
ΔvapH 36.50 ± 0.30 kJ/mol 372.50 NIST
ΔvapH 33.50 ± 0.60 kJ/mol 372.50 NIST
ΔvapH 35.20 kJ/mol 401.00 NIST
ΔvapH 37.80 kJ/mol 435.00 NIST
ρl 857.60 kg/m3 298.15 Determi...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [295.47; 429.29] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43990e+01
Coefficient B-3.41585e+03
Coefficient C-5.34050e+01
Temperature range, min.295.47
Temperature range, max.429.29
Pvap 1.33 kPa 295.47 Calculated Property
Pvap 3.02 kPa 310.34 Calculated Property
Pvap 6.24 kPa 325.21 Calculated Property
Pvap 11.98 kPa 340.08 Calculated Property
Pvap 21.56 kPa 354.95 Calculated Property
Pvap 36.72 kPa 369.81 Calculated Property
Pvap 59.61 kPa 384.68 Calculated Property
Pvap 92.83 kPa 399.55 Calculated Property
Pvap 139.38 kPa 414.42 Calculated Property
Pvap 202.66 kPa 429.29 Calculated Property
Pvap [2.36e-03; 3355.54] kPa [220.15; 600.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.11275e+01
Coefficient B-6.98731e+03
Coefficient C-6.58940e+00
Coefficient D2.18991e-06
Temperature range, min.220.15
Temperature range, max.600.00
Pvap 2.36e-03 kPa 220.15 Calculated Property
Pvap 0.13 kPa 262.36 Calculated Property
Pvap 2.02 kPa 304.56 Calculated Property
Pvap 14.91 kPa 346.77 Calculated Property
Pvap 66.64 kPa 388.97 Calculated Property
Pvap 211.60 kPa 431.18 Calculated Property
Pvap 527.29 kPa 473.38 Calculated Property
Pvap 1101.75 kPa 515.59 Calculated Property
Pvap 2019.94 kPa 557.79 Calculated Property
Pvap 3355.54 kPa 600.00 Calculated Property

Similar Compounds

Phorone. 4-Hexen-3-one, 5-methyl-. 3-Penten-2-one, (E)-. (Z)-pent-3-en-2-one. 3-Penten-2-one. (Z)-3-Penten-2-one. 4-Methyl-3-hexen-2-one. 2-Butenal, 3-methyl-. (Z)-2,6-Dimethylocta-2,5,7-trien-4-one. (E)-2,6-Dimethylocta-2,5,7-trien-4-one. Ocimenone. cis-Tagetenone. 2-Pentene, 2,4,4-trimethyl-. 3,3-Dimethylacryloyl chloride. 2-Pentene, 2-methyl-.

Find more compounds similar to 3-Penten-2-one, 4-methyl-.

Mixtures

Sources

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

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