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
  • Phenol, 3,4-(methylenedioxy)-
  • Sesamol
  • 3,4-(Methylenedioxy)phenol
  • 5-Hydroxy-1,3-benzodioxole
  • Methylene ether of oxyhydroquinone
  • 5-Hydroxy-1,3-benzodioxole (sesamol)

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
log10WS -1.23 Crippen Calculated Property
logPoct/wat 1.121 Crippen Calculated Property
McVol 92.480 ml/mol McGowan Calculated Property
Pc 6103.52 kPa Joback Calculated Property
Inp [1278.00; 1312.00]   Show Hide
Inp 1278.00 NIST
Inp 1312.00 NIST
Inp 1312.00 NIST
Tboil 537.15 K Joback Calculated Property
Tc 782.79 K Joback Calculated Property
Tfus 394.63 K Joback Calculated Property
Vc 0.285 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [217.31; 262.64] J/mol×K [537.15; 782.79] Show Hide
Cp,gas 217.31 J/mol×K 537.15 Joback Calculated Property
Cp,gas 226.75 J/mol×K 578.09 Joback Calculated Property
Cp,gas 235.27 J/mol×K 619.03 Joback Calculated Property
Cp,gas 242.99 J/mol×K 659.97 Joback Calculated Property
Cp,gas 250.04 J/mol×K 700.91 Joback Calculated Property
Cp,gas 256.55 J/mol×K 741.85 Joback Calculated Property
Cp,gas 262.64 J/mol×K 782.79 Joback Calculated Property
η [0.0001410; 0.0016410] Pa×s [394.63; 537.15] Show Hide
η 0.0016410 Pa×s 394.63 Joback Calculated Property
η 0.0009706 Pa×s 418.38 Joback Calculated Property
η 0.0006074 Pa×s 442.14 Joback Calculated Property
η 0.0003987 Pa×s 465.89 Joback Calculated Property
η 0.0002727 Pa×s 489.64 Joback Calculated Property
η 0.0001931 Pa×s 513.40 Joback Calculated Property
η 0.0001410 Pa×s 537.15 Joback Calculated Property
ΔfusH 16.96 kJ/mol 337.70 NIST
ΔsubH 92.10 ± 0.60 kJ/mol 301.00 NIST

Similar Compounds

Phenol, 3,4-dimethoxy-. 2,4-Dimethoxyphenol. 1,4-Benzenediol, 2-methoxy-. 1,3-Benzodioxole. Phenol, 3,4,5-trimethoxy-. 2,6-Dimethoxy hydroquinone. 4-Bromo-1,2-(methylenedioxy)benzene. 1,2,4-Trimethoxybenzene. 1-Iodo-3,4-methylenedioxybenzene. 1,2-Benzenediol, 3-methoxy-. 5-Chloro-1,3-benzodioxole. Piperonylonitrile. Phenol, 2-methoxy-. 3,4-(Methylenedioxy)toluene. Phenol, 2,6-dimethoxy-.

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

Sources

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.

Login Register