Chemical Properties of 3-Buten-2-one, 3-methyl- (CAS 814-78-8)

3-Buten-2-one, 3-methyl-

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InChI
InChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3
InChI Key
ZGHFDIIVVIFNPS-UHFFFAOYSA-N
Formula
C5H8O
SMILES
C=C(C)C(C)=O
Molecular Weight1
84.12
CAS
814-78-8
Other Names
  • 2-METHYL-1-BUTEN-3-ONE
  • 3- Methyl-3- butene-2- one
  • 3- Methyl-3- butene-2- one (methyl isopropenyl ketone)
  • 3-Methyl-3-buten-2-on
  • 3-Methyl-3-buten-2-one
  • 3-methylbut-3-en-2-one
  • CH2=C(CH3)C(=O)CH3
  • Isopropenyl methyl ketone
  • Ketone, methyl isopropenyl
  • Methyl isopropenyl ketone
  • UN 1246

Physical Properties

Property Value Unit Source
PAff 843.10 kJ/mol NIST
BasG 811.30 kJ/mol NIST
Δf -58.41 kJ/mol Joback Calculated Property
Δfgas -143.47 kJ/mol Joback Calculated Property
Δfus 7.72 kJ/mol Joback Calculated Property
Δvap 32.88 kJ/mol Joback Calculated Property
IE 9.50 eV NIST
log10WS -1.05 Crippen Calculated Property
logPoct/wat 1.151 Crippen Calculated Property
McVol 78.580 ml/mol McGowan Calculated Property
NFPA Health 2 KDB
Pc 3965.51 kPa Joback Calculated Property
Inp [620.00; 693.00]   Show Hide
Inp 643.00 NIST
Inp 654.00 NIST
Inp 620.00 NIST
Inp 620.00 NIST
Inp 693.00 NIST
Inp 671.00 NIST
Inp 653.00 NIST
Inp 643.00 NIST
I [987.00; 1006.00]   Show Hide
I 1006.00 NIST
I 987.00 NIST
I 991.00 NIST
I 1000.00 NIST
I 1006.00 NIST
I 987.00 NIST
Tboil [370.00; 371.20] K Show Hide
Tboil 371.20 K NIST
Tboil 370.86 ± 0.20 K NIST
Tboil 370.00 ± 3.00 K NIST
Tc 550.10 K Joback Calculated Property
Tfus 219.55 ± 0.20 K NIST
Vc 0.303 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [128.94; 172.63] J/mol×K [364.23; 550.10] Show Hide
Cp,gas 128.94 J/mol×K 364.23 Joback Calculated Property
Cp,gas 137.08 J/mol×K 395.21 Joback Calculated Property
Cp,gas 144.86 J/mol×K 426.19 Joback Calculated Property
Cp,gas 152.29 J/mol×K 457.16 Joback Calculated Property
Cp,gas 159.39 J/mol×K 488.14 Joback Calculated Property
Cp,gas 166.17 J/mol×K 519.12 Joback Calculated Property
Cp,gas 172.63 J/mol×K 550.10 Joback Calculated Property
ΔvapH 26.20 kJ/mol 342.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [270.64; 396.13] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43966e+01
Coefficient B-3.20200e+03
Coefficient C-4.36900e+01
Temperature range, min.270.64
Temperature range, max.396.13
Pvap 1.33 kPa 270.64 Calculated Property
Pvap 3.02 kPa 284.58 Calculated Property
Pvap 6.24 kPa 298.53 Calculated Property
Pvap 11.98 kPa 312.47 Calculated Property
Pvap 21.56 kPa 326.41 Calculated Property
Pvap 36.72 kPa 340.36 Calculated Property
Pvap 59.61 kPa 354.30 Calculated Property
Pvap 92.83 kPa 368.24 Calculated Property
Pvap 139.37 kPa 382.19 Calculated Property
Pvap 202.63 kPa 396.13 Calculated Property
Pvap [0.02; 3828.05] kPa [219.55; 566.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.40040e+01
Coefficient B-6.37294e+03
Coefficient C-7.23558e+00
Coefficient D4.27398e-06
Temperature range, min.219.55
Temperature range, max.566.00
Pvap 0.02 kPa 219.55 Calculated Property
Pvap 0.56 kPa 258.04 Calculated Property
Pvap 5.49 kPa 296.54 Calculated Property
Pvap 29.74 kPa 335.03 Calculated Property
Pvap 108.04 kPa 373.53 Calculated Property
Pvap 297.69 kPa 412.02 Calculated Property
Pvap 674.05 kPa 450.52 Calculated Property
Pvap 1323.69 kPa 489.01 Calculated Property
Pvap 2340.63 kPa 527.51 Calculated Property
Pvap 3828.05 kPa 566.00 Calculated Property

Similar Compounds

3-Penten-2-one, 3-methyl-. 2-Pentanone, 3-methylene-. 1-Penten-3-one, 2-methyl-. 3-Penten-2-one, 3,4-dimethyl-. 1,3-Butadiene, 2,3-dimethyl-. 2-Ethylacrolein. 2-Methyl-1-butene. 5-Hexen-2-one, 5-methyl-3-methylene-. 1-Butene, 2,3,3-trimethyl-. Butyl, 2-methylene-. 3-Hexen-2-one, 3,4-dimethyl-. Methacryloyl chloride. Pentane, 3-methylene-. Methacrolein. 3-Hepten-2-one, 3-methyl-.

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

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