Chemical Properties of .BETA.(3,4-methylenedioxyphenyl)propionic acid (CAS 2815-95-4)

.BETA.(3,4-methylenedioxyphenyl)propionic acid

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InChI
InChI=1S/C10H10O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1,3,5H,2,4,6H2,(H,11,12)
InChI Key
UIYJGLLTSVRSBM-UHFFFAOYSA-N
Formula
C10H10O4
SMILES
O=C(O)CCc1ccc2c(c1)OCO2
Molecular Weight1
194.18
CAS
2815-95-4
Other Names
  • 1,3-Benzodioxole-5-propanoic acid
  • 3,4-(Methylenedioxy)hydrocinnamic acid
  • 3-(3,4-Methylenedioxyphenyl)propionic acid
  • Hydrocinnamic acid, 3,4-(methylenedioxy)-
  • benzo-1,3-dioxole-5-propionic acid
Sources

Physical Properties

Property Value Unit Source
Δf -243.05 kJ/mol Joback Calculated Property
Δfgas -471.81 kJ/mol Joback Calculated Property
Δfus 33.63 kJ/mol Joback Calculated Property
Δvap 74.12 kJ/mol Joback Calculated Property
logPoct/wat 1.43 Crippen Calculated Property
Pc 4021.02 kPa Joback Calculated Property
Tboil 676.20 K Joback Calculated Property
Tc 888.16 K Joback Calculated Property
Tfus 439.99 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 361.32 J/mol×K 676.2 Joback Calculated Property
η 0.00 Pa×s 676.2 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,3-benzodioxole-5-propionaldehyde. 1,3-Benzodioxole, 5-propyl-. 1,3-Benzodioxole-5-propanal, .alpha.-methyl-. 4-(3,4-Methylenedioxyphenyl)-2-butanone. 3-(3,4-Dimethoxyphenyl)-propionic acid. «beta»-(4-Hydroxy-3-methoxyphenyl)propionic acid. Benzenepropanoic acid, 3,4-dimethoxy-, methyl ester. 3,4-Methylenedioxyphenyl acetone. Methyl 4-(3,4-methylenedioxyphenyl)butanoate. «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride. Tenamfetamine. Tenamfetamine. 2-Hexanone, 6-(3,4-methylenedioxyphenyl). Benzenepropanoic acid, 4-hydroxy-3-methoxy, methyl ester. 6-(benzo[d][1,3]dioxol-5-yl)hex-3-en-2-one.

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