Chemical Properties of Methyl vinyl ketone (CAS 78-94-4)

Methyl vinyl ketone

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InChI
InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3
InChI Key
FUSUHKVFWTUUBE-UHFFFAOYSA-N
Formula
C4H6O
SMILES
C=CC(C)=O
Molecular Weight1
70.09
CAS
78-94-4
Other Names
  • 1-Buten-3-one
  • 2-Butenone
  • 3-Buten-2-one
  • 3-Butene-2-one
  • 3-Butenen-2-one
  • 3-Oxo-1-butene
  • 3-Oxobutene
  • Acetone, methylene-
  • Acetyl ethylene
  • But-3-en-2-one
  • Butenone
  • CH2=CHCOCH3
  • Ketone, methyl vinyl
  • Methyl ethenyl ketone
  • Methyl-vinyl-cetone
  • Methylene acetone
  • Methylvinylketon
  • NSC 4853
  • UN 1251
  • Vinyl methyl ketone
  • «gamma»-Oxo-«alpha»-butylene
Sources

Physical Properties

Property Value Unit Source
PAff 834.70 kJ/mol NIST
BasG 802.80 kJ/mol NIST
Δf -58.28 kJ/mol Joback Calculated Property
Δfgas -115.00 ± 11.00 kJ/mol NIST
Δfus 6.44 kJ/mol Joback Calculated Property
Δvap 30.57 kJ/mol Joback Calculated Property
IE [9.61; 10.11] eV Show Hide
IE 9.65 ± 0.02 eV NIST
IE 9.66 eV NIST
IE 9.64 eV NIST
IE 9.66 eV NIST
IE Outlier 10.11 eV NIST
IE 9.61 eV NIST
IE 9.67 eV NIST
logPoct/wat 0.761 Crippen Calculated Property
Pc 4462.28 kPa Joback Calculated Property
gas 320.34 J/mol×K NIST
Tboil 354.60 K NIST
Tboil 354.00 ± 4.00 K NIST
Tboil 309.80 K NIST
Tc 523.88 K Joback Calculated Property
Tfus 183.01 K Joback Calculated Property
Vc 0.246 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 96.99 J/mol×K 341.47 Joback Calculated Property
η 0.0002585 Pa×s 341.47 Joback Calculated Property
ΔvapH 32.90 kJ/mol 317.0 NIST
ΔvapH 33.60 kJ/mol 327.5 NIST

Molecular Descriptors

Joback and Reid Groups
=CH2 1
>C=O (nonring) 1
=CH- 1
-CH3 1

Similar Compounds

(Z)-pent-3-en-2-one. 3-Penten-2-one. (Z)-3-Penten-2-one. 3-Penten-2-one, (E)-. 1-Penten-3-one. 2-Propenal. Propenoyl radical. 3-Hexen-2-one. (E)-3-hexen-2-one. (Z)-3-hexen-2-one. 3-Buten-2-one, 3-methyl-. 2-Pentenal, (E)-. 2-Pentenal, isomer 1. 2-Pentenal. (Z)-2-pentenal.

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