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

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

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

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

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-.

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.