Chemical Properties of 1,3-Benzodioxol-5-ol (CAS 533-31-3)

1,3-Benzodioxol-5-ol

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

InChI
InChI=1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
InChI Key
LUSZGTFNYDARNI-UHFFFAOYSA-N
Formula
C7H6O3
SMILES
Oc1ccc2c(c1)OCO2
Molecular Weight1
138.12
CAS
533-31-3
Other Names
  • 3,4-(Methylenedioxy)phenol
  • 5-Hydroxy-1,3-benzodioxole
  • 5-Hydroxy-1,3-benzodioxole (sesamol)
  • Methylene ether of oxyhydroquinone
  • Phenol, 3,4-(methylenedioxy)-
  • Sesamol
Sources

Physical Properties

Property Value Unit Source
Δf -147.56 kJ/mol Joback Calculated Property
Δfgas -310.92 kJ/mol Joback Calculated Property
Δfus 26.34 kJ/mol Joback Calculated Property
Δsub 92.20 ± 0.60 kJ/mol NIST
Δvap 56.37 kJ/mol Joback Calculated Property
logPoct/wat 1.12 Crippen Calculated Property
Pc 6103.52 kPa Joback Calculated Property
Tboil 537.15 K Joback Calculated Property
Tc 782.79 K Joback Calculated Property
Tfus 394.63 K Joback Calculated Property
Vc 0.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 217.31 J/mol×K 537.15 Joback Calculated Property
η 0.00 Pa×s 537.15 Joback Calculated Property
ΔfusH 16.96 kJ/mol 337.7 NIST
ΔsubH 92.10 ± 0.60 kJ/mol 301.0 NIST

Molecular Descriptors

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

Similar Compounds

2,4-Dimethoxyphenol. 1,3-Benzodioxole. Phenol, 3,4-dimethoxy-. 1,4-Benzenediol, 2-methoxy-. 1,2,4-Trimethoxybenzene. Phenol, 3,4,5-trimethoxy-. 2,6-Dimethoxy hydroquinone. 1,2,3,4-Tetramethoxybenzene. 1,2-Benzenediol, 3-methoxy-. Phenol, 2,6-dimethoxy-. 1,2,3-Trimethoxybenzene. 2-Methoxyresorcinol. 3,4-(Methylenedioxy)toluene. wettstein B. wettstein A.

Find more compounds similar to 1,3-Benzodioxol-5-ol.

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.