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

1,3-Benzodioxol-5-ol

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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)
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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

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