Chemical Properties of 1,3-benzodioxole-5-propionaldehyde (CAS 30830-55-8)

1,3-benzodioxole-5-propionaldehyde

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H10O3/c11-5-1-2-8-3-4-9-10(6-8)13-7-12-9/h3-6H,1-2,7H2
InChI Key
IDCKZBGINKOTOL-UHFFFAOYSA-N
Formula
C10H10O3
SMILES
O=CCCc1ccc2c(c1)OCO2
Molecular Weight1
178.18
CAS
30830-55-8
Other Names
  • 3-(Benzo[d][1,3]dioxol-5-yl)propanal
Sources

Physical Properties

Property Value Unit Source
Δf -76.83 kJ/mol Joback Calculated Property
Δfgas -292.58 kJ/mol Joback Calculated Property
Δfus 30.23 kJ/mol Joback Calculated Property
Δvap 57.42 kJ/mol Joback Calculated Property
logPoct/wat 1.55 Crippen Calculated Property
Pc 3637.73 kPa Joback Calculated Property
Tboil 578.81 K Joback Calculated Property
Tc 802.91 K Joback Calculated Property
Tfus 371.24 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 316.97 J/mol×K 578.81 Joback Calculated Property
η 0.00 Pa×s 578.81 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

Find more compounds similar to 1,3-benzodioxole-5-propionaldehyde.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.