Chemical Properties of Benzoic acid, 2,6-dihydroxy- (CAS 303-07-1)

Benzoic acid, 2,6-dihydroxy-

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InChI
InChI=1S/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11)
InChI Key
AKEUNCKRJATALU-UHFFFAOYSA-N
Formula
C7H6O4
SMILES
O=C(O)c1c(O)cccc1O
Molecular Weight1
154.12
CAS
303-07-1
Other Names
  • 2,6-Dihydroxybenzoic acid
  • 2,6-Resorcylic acid
  • 2-Carboxyresorcinol
  • 6-Hydroxysalicylic acid
  • «gamma»-Resorcylic acid
Sources

Physical Properties

Property Value Unit Source
Δf -454.51 kJ/mol Joback Calculated Property
Δfgas -570.71 kJ/mol Joback Calculated Property
Δfus 25.18 kJ/mol Joback Calculated Property
Δsub 109.10 ± 1.00 kJ/mol NIST
Δvap 82.91 kJ/mol Joback Calculated Property
logPoct/wat 0.80 Crippen Calculated Property
Pc 8175.04 kPa Joback Calculated Property
Tboil 693.53 K Joback Calculated Property
Tc 922.45 K Joback Calculated Property
Tfus 529.26 K Joback Calculated Property
Vc 0.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 267.80 J/mol×K 693.53 Joback Calculated Property
η 0.00 Pa×s 693.53 Joback Calculated Property
ΔsubH 107.50 ± 1.00 kJ/mol 356.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzoic acid, 2-hydroxy-. 2,4,6-Trihydroxybenzoic acid. Benzoic acid, 2,6-dihydroxy-, methyl ester. 2,4-Dihydroxybenzoic acid. Benzoic acid, 2-hydroxy-, methyl ester. Benzoic acid, 2,6-dimethoxy-. Methyl 2,4,6-trihydroxybenzoate. gentisic acid. Benzoic acid, 2,3-dihydroxy-. 2-Hydroxy-4-methylbenzoic acid. Hydroxytoluic acid. Verimol K. Benzoic acid, 2-methoxy-. 5-Methylsalicylic acid. Methyl 2,6-dihydroxy-4-methylbenzoate.

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