Chemical Properties of 1,3,5-Benzenetriol (CAS 108-73-6)

1,3,5-Benzenetriol

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InChI
InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
InChI Key
QCDYQQDYXPDABM-UHFFFAOYSA-N
Formula
C6H6O3
SMILES
Oc1cc(O)cc(O)c1
Molecular Weight1
126.11
CAS
108-73-6
Other Names
  • 1,3,5-THB
  • 1,3,5-Trihydroxybenzene
  • 1,3,5-Trihydroxycyclohexatriene
  • 3,5-Dihydroxyphenol
  • 5-Hydroxyresorcinol
  • 5-Oxyresorcinol
  • 5-Oxyresorcinolphloroglucin
  • Benzene, 1,3,5-trihydroxy-
  • Benzene, trihydroxy
  • Benzene-1,3,5-triol
  • Benzene-s-triol
  • Dilospan S
  • Floroglucin
  • Floroglucinol
  • NSC 1572
  • Phloroglucin
  • Phloroglucine
  • Phloroglucinol
  • Phloroglucinol (1,3,5-benzenetriol)
  • Spasfon-Lyoc
  • s-Trihydroxybenzene
  • sym-Trihydroxybenzene
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2634.00 ± 0.70 kJ/mol NIST
Δf -342.18 kJ/mol Joback Calculated Property
Δfgas -452.90 ± 1.50 kJ/mol NIST
Δfsolid -584.60 ± 1.10 kJ/mol NIST
Δfus 23.07 kJ/mol Joback Calculated Property
Δsub [131.70; 135.50] kJ/mol Show Hide
Δsub 135.50 ± 1.30 kJ/mol NIST
Δsub 131.70 ± 1.00 kJ/mol NIST
Δsub 131.70 kJ/mol NIST
Δsub 131.70 ± 1.00 kJ/mol NIST
Δvap 69.61 kJ/mol Joback Calculated Property
logPoct/wat 0.803 Crippen Calculated Property
Pc 9980.03 kPa Joback Calculated Property
Tboil 600.24 K Joback Calculated Property
Tc 858.52 K Joback Calculated Property
Tfus 506.44 K Joback Calculated Property
Vc 0.162 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.40 J/mol×K 600.24 Joback Calculated Property
η 0.0000013 Pa×s 600.24 Joback Calculated Property
ΔfusH 34.50 kJ/mol 491.8 NIST
ΔsubH 127.90 kJ/mol 394.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-OH (phenol) 3
=CH- (ring) 3

Similar Compounds

Phloroglucinol dihydrate. Resorcinol. 1,2,3-Benzenetriol. 1,2,4-Benzenetriol. phenoxide anion. Phenol. Hydroquinone. Flamenol. 1,2-Benzenediol. 3-Methoxyphenol. Benzene, 1,3,5-trimethoxy-. Phenol, 3,5-dimethoxy-. Benzene, 1,3-dimethoxy-. 3,5-Dihydroxytoluene. 3,5-dihydroxytoluene, monohydrate.

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