Chemical Properties of 3',4'-(Methylenedioxy)acetophenone (CAS 3162-29-6)

3',4'-(Methylenedioxy)acetophenone

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InChI
InChI=1S/C9H8O3/c1-6(10)7-2-3-8-9(4-7)12-5-11-8/h2-4H,5H2,1H3
InChI Key
BMHMKWXYXFBWMI-UHFFFAOYSA-N
Formula
C9H8O3
SMILES
CC(=O)c1ccc2c(c1)OCO2
Molecular Weight1
164.16
CAS
3162-29-6
Other Names
  • 1-(1,3-benzodioxol-5-yl)ethan-1-one
  • 3,4-Methylen-dioxy-acetophenon
  • 3,4-Methylenedioxyacetophenone
  • 3,4-Methylenedioxycetophenone
  • Acetopiperone
  • Ethanone, 1-(1,3-benzodioxol-5-yl)-
Sources

Physical Properties

Property Value Unit Source
Δf -114.65 kJ/mol Joback Calculated Property
Δfgas -298.94 kJ/mol Joback Calculated Property
Δfus 26.95 kJ/mol Joback Calculated Property
Δsub 104.40 ± 2.20 kJ/mol NIST
Δvap 55.22 kJ/mol Joback Calculated Property
logPoct/wat 1.62 Crippen Calculated Property
Pc 4041.50 kPa Joback Calculated Property
Tboil 426.50 ± 1.50 K NIST
Tc 795.13 K Joback Calculated Property
Tfus 367.90 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 270.65 J/mol×K 561.14 Joback Calculated Property
η 0.00 Pa×s 561.14 Joback Calculated Property
ΔfusH 26.23 kJ/mol 358.9 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
-CH3 1
-CH2- (ring) 1

Similar Compounds

3,4-Methylenedioxypropiophenone. Ethanone, 1-(3,4-dimethoxyphenyl)-. Apocynin. Acetylvanillone. 1,2-propanedione,1-(3,4-methylenedioxy)phenyl. Piperonal. Ethanone, 1-(3,4,5-trimethoxyphenyl)-. Propiophenone, 3',4'-dimethoxy-. Acetophenone, 2,4'-dihydroxy-3'-methoxy-. Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-. Propiovanillone. propiovanillone. 1,3-Benzodioxole, 5-(2-propenyl)-. Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-. Methylone.

Find more compounds similar to 3',4'-(Methylenedioxy)acetophenone.

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