Chemical Properties of 4-(3,4-Methylenedioxyphenyl)-2-butanone (CAS 55418-52-5)

4-(3,4-Methylenedioxyphenyl)-2-butanone

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InChI
InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
InChI Key
TZJLGGWGVLADDN-UHFFFAOYSA-N
Formula
C11H12O3
SMILES
CC(=O)CCc1ccc2c(c1)OCO2
Molecular Weight1
192.21
CAS
55418-52-5
Other Names
  • 3,4-Methylenedioxybenzylacetone
  • 2-Butanone, 4-(1,3-benzodioxol-5-yl)-
  • 4-(1,3-benzodioxol-5-yl)butan-2-one
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Physical Properties

Property Value Unit Source
Δf -97.81 kJ/mol Joback Calculated Property
Δfgas -340.22 kJ/mol Joback Calculated Property
Δfus 32.13 kJ/mol Joback Calculated Property
Δvap 59.67 kJ/mol Joback Calculated Property
log10WS -2.60 Crippen Calculated Property
logPoct/wat 1.937 Crippen Calculated Property
McVol 144.540 ml/mol McGowan Calculated Property
Pc 3210.04 kPa Joback Calculated Property
Tboil 606.90 K Joback Calculated Property
Tc 831.96 K Joback Calculated Property
Tfus 390.44 K Joback Calculated Property
Vc 0.549 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [362.64; 428.69] J/mol×K [606.90; 831.96] Show Hide
Cp,gas 362.64 J/mol×K 606.90 Joback Calculated Property
Cp,gas 375.70 J/mol×K 644.41 Joback Calculated Property
Cp,gas 387.85 J/mol×K 681.92 Joback Calculated Property
Cp,gas 399.17 J/mol×K 719.43 Joback Calculated Property
Cp,gas 409.70 J/mol×K 756.94 Joback Calculated Property
Cp,gas 419.52 J/mol×K 794.45 Joback Calculated Property
Cp,gas 428.69 J/mol×K 831.96 Joback Calculated Property
η [0.0004673; 0.0022259] Pa×s [390.44; 606.90] Show Hide
η 0.0022259 Pa×s 390.44 Joback Calculated Property
η 0.0015372 Pa×s 426.52 Joback Calculated Property
η 0.0011247 Pa×s 462.59 Joback Calculated Property
η 0.0008609 Pa×s 498.67 Joback Calculated Property
η 0.0006832 Pa×s 534.75 Joback Calculated Property
η 0.0005583 Pa×s 570.82 Joback Calculated Property
η 0.0004673 Pa×s 606.90 Joback Calculated Property

Similar Compounds

Methyl zingerone. 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-. Zingerone. 1-(3,4-Dimethoxyphenyl)pentan-3-one. 2-Hexanone, 6-(3,4-methylenedioxyphenyl). 2-Octanone, 8-(3,4-methylenedioxyphenyl). 1,3-benzodioxole-5-propionaldehyde. 1-(3,4-Dimethoxyphenyl)hexan-3-one. 1-(3,4-Dimethoxyphenyl)heptan-3-one. «beta»(3,4-Methylenedioxyphenyl)propionic acid. 1-(3,4-Dimethoxyphenyl)decan-3-one. 1,3-Benzodioxole, 5-propyl-. 3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. 1,3-Benzodioxole-5-propanal, «alpha»-methyl-.

Find more compounds similar to 4-(3,4-Methylenedioxyphenyl)-2-butanone.

Sources

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