Chemical Properties of Benzoic acid, 3-hydroxy- (CAS 99-06-9)

Benzoic acid, 3-hydroxy-

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InChI
InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChI Key
IJFXRHURBJZNAO-UHFFFAOYSA-N
Formula
C7H6O3
SMILES
O=C(O)c1cccc(O)c1
Molecular Weight1
138.12
CAS
99-06-9
Other Names
  • Benzoic acid, 3-hydroxy-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3017.90 ± 1.10 kJ/mol NIST
Δcsolid -3021.60 ± 0.40 kJ/mol NIST
Δf -299.89 kJ/mol Joback Calculated Property
Δfgas -469.10 ± 1.30 kJ/mol NIST
Δfgas -465.50 kJ/mol NIST
Δfsolid -594.10 ± 1.10 kJ/mol NIST
Δfsolid -590.50 ± 1.00 kJ/mol NIST
Δfus 19.40 kJ/mol Joback Calculated Property
Δsub [118.30; 125.00] kJ/mol Show Hide
Δsub 118.30 ± 1.10 kJ/mol NIST
Δsub 124.99 ± 0.74 kJ/mol NIST
Δsub 125.00 kJ/mol NIST
Δsub 125.00 ± 0.74 kJ/mol NIST
Δvap 69.89 kJ/mol Joback Calculated Property
IE 9.20 ± 0.20 eV NIST
logPoct/wat 1.090 Crippen Calculated Property
Pc 6349.11 kPa Joback Calculated Property
solid,1 bar 177.00 J/mol×K NIST
Tboil 612.91 K Joback Calculated Property
Tc 833.23 K Joback Calculated Property
Tfus 472.00 ± 1.50 K NIST
Tfus 364.00 ± 3.00 K NIST
Tfus 472.00 ± 6.00 K NIST
Vc 0.310 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.10 J/mol×K 612.91 Joback Calculated Property
Cp,solid 157.30 J/mol×K 288.4 NIST
η 0.0000161 Pa×s 612.91 Joback Calculated Property
ΔfusH 26.20 kJ/mol 475.1 NIST
ΔfusH 36.50 kJ/mol 476.4 NIST
ΔsubH 123.50 ± 0.74 kJ/mol 363.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-OH (alcohol) 1
>C=O (nonring) 1
-OH (phenol) 1
=CH- (ring) 4

Similar Compounds

3,5-dihydroxybenzoic acid. 3-HO-C6H4-COOCH3. Benzoic acid, 3-methoxy-. 3,4-dihydroxybenzoic acid. 3-Hydroxy-4-methylbenzoic acid. gentisic acid. Benzoic acid, 3,4,5-trihydroxy-. Ethyl 3-hydroxybenzoate. 3,5-Dimethoxybenzoic acid. Benzoic acid, 4-chloro-3-hydroxy-. 4-Amino-3-hydroxybenzoic acid. Benzoic acid, 3-hydroxy-, isopropyl ester. 3-CH3O-C6H4-COOCH3. Benzoic acid, 3,4-dihydroxy-, methyl ester. Benzenemethanol, 3-hydroxy-.

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