Chemical Properties of 1,3-Benzodioxole, 5-(2-propenyl)- (CAS 94-59-7)

1,3-Benzodioxole, 5-(2-propenyl)-

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InChI
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
InChI Key
ZMQAAUBTXCXRIC-UHFFFAOYSA-N
Formula
C10H10O2
SMILES
C=CCc1ccc2c(c1)OCO2
Molecular Weight1
162.19
CAS
94-59-7
Other Names
  • (1,2-(Methylenedioxy)-4-allyl)benzene
  • 1,3-Benzodioxole, 5-(2-propen-1-yl)-
  • 1,3-Benzodioxole, 5-(2-propenyl)-
  • 1,3-Benzodioxole, 5-allyl-
  • 1-Allyl-3,4-(methylenedioxy)benzene
  • 3,4-(Methylenedioxy)allylbenzene
  • 3-(3,4-Methylenedioxyphenyl)prop-1-ene
  • 4-Allyl-1,2-(methylenedioxy)benzene
  • 4-Allylpyrocatechol formaldehyde acetal
  • 5-(2-Propenyl)-1,3-benzodioxole
  • 5-Allyl-1,3-benzodioxole
  • Allylcatechol methylene ether
  • Allyldioxybenzene methylene ether
  • Allylpyrocatechol methylene ether
  • Benzene, 1,2-methylenedioxy-4-allyl-
  • Benzene, 4-allyl-1,2-(methylenedioxy)-
  • NSC 11831
  • Rcra waste number U203
  • Rhyuno oil
  • Safrene
  • Safrol
  • Safrole MF
  • Shikimole
  • Shikomol
  • m-Allylpyrocatechin methylene ether
Sources

Physical Properties

Property Value Unit Source
Δf 110.53 kJ/mol Joback Calculated Property
Δfgas -81.57 kJ/mol Joback Calculated Property
Δfus 26.66 kJ/mol Joback Calculated Property
Δvap 50.03 kJ/mol Joback Calculated Property
logPoct/wat 2.144 Crippen Calculated Property
Pc 3501.28 kPa Joback Calculated Property
Tboil [377.50; 509.10] K Show Hide
Tboil 506.20 K NIST
Tboil 504.80 ± 0.20 K NIST
Tboil 509.05 ± 1.00 K NIST
Tboil 509.05 ± 0.40 K NIST
Tboil 509.10 ± 0.50 K NIST
Tboil 377.70 K NIST
Tboil 377.50 ± 0.50 K NIST
Tc 753.00 K Joback Calculated Property
Tfus 327.48 K Joback Calculated Property
Vc 0.469 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 281.85 J/mol×K 526.83 Joback Calculated Property
η 0.0004556 Pa×s 526.83 Joback Calculated Property
ΔvapH 54.60 kJ/mol 421.0 NIST

Molecular Descriptors

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

Similar Compounds

1,3-Benzodioxole, 5-propyl-. 3,4-Methylenedioxyphenylacetonitrile. 4-Hexen-3-one, 1-(3,4-methylenedioxyphenyl). Homarylamine. Benzene, 1,2-dimethoxy-4-(2-propenyl)-. 1,3-benzodioxole-5-propionaldehyde. 1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-. Eugenol. 3,4-Methylenedioxyphenylacetic acid. 1-Hydroxy-2-(prop-2-enyl)-4,5-methylenedioxybenzene. 3,4-Methylenedioxyphenyl acetone. Chavibetol. 1,3-Benzodioxole-5-propanal, .alpha.-methyl-. Tenamfetamine. «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride.

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