Chemical Properties of 1,3-Benzodioxole, 5-propyl- (CAS 94-58-6)

1,3-Benzodioxole, 5-propyl-

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InChI
InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3
InChI Key
MYEIDJPOUKASEC-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCCc1ccc2c(c1)OCO2
Molecular Weight1
164.20
CAS
94-58-6
Other Names
  • 1-(3,4-Methylenedioxyphenyl)propane
  • 2',3'-Dihydrosafrole
  • 4-Propyl-1,2-(methylenedioxy)benzene
  • 5-Propyl-1,3-benzodioxole
  • Benzene, 1,2-(methylenedioxy)-4-propyl-
  • Dihydrosafrol
  • Dihydrosafrole
  • NSC 27867
  • Rcra waste number U090
  • Safrole, dihydro-
  • [1,2-(Methylenedioxy)-4-propyl]benzene
Sources

Physical Properties

Property Value Unit Source
Δf 22.69 kJ/mol Joback Calculated Property
Δfgas -207.00 kJ/mol Joback Calculated Property
Δfus 27.94 kJ/mol Joback Calculated Property
Δvap 50.70 kJ/mol Joback Calculated Property
logPoct/wat 2.37 Crippen Calculated Property
Pc 3333.53 kPa Joback Calculated Property
Tboil 387.50 ± 0.50 K NIST
Tc 751.36 K Joback Calculated Property
Tfus 329.24 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 300.48 J/mol×K 530.15 Joback Calculated Property
η 0.00 Pa×s 530.15 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,3-benzodioxole-5-propionaldehyde. 3,4-Methylenedioxyphenyl acetone. 1,3-Benzodioxole-5-propanal, .alpha.-methyl-. .BETA.(3,4-methylenedioxyphenyl)propionic acid. «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride. Tenamfetamine. Tenamfetamine. 4-(3,4-Methylenedioxyphenyl)-2-butanone. 2-Hexanone, 6-(3,4-methylenedioxyphenyl). 1,3-Benzodioxole, 5-(2-propenyl)-. 6-(benzo[d][1,3]dioxol-5-yl)hex-3-en-2-one. 2-Octanone, 8-(3,4-methylenedioxyphenyl). N-methyl-3,4-methylenedioxyamphetamine. 3,4-Methylenedioxyphenylacetonitrile. Methyl 4-(3,4-methylenedioxyphenyl)butanoate.

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