Chemical Properties of Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy- (CAS 16094-31-8)

Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-

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InChI
InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)
InChI Key
XAICWTLLSRXZPB-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
CC(C)(C)c1ccc(O)c(C(=O)O)c1
Molecular Weight1
194.23
CAS
16094-31-8
Other Names
  • 5-(1,1-dimethylethyl)salicylic acid
Sources

Physical Properties

Property Value Unit Source
Δf -273.00 kJ/mol Joback Calculated Property
Δfgas -496.18 kJ/mol Joback Calculated Property
Δfus 21.95 kJ/mol Joback Calculated Property
Δvap 78.16 kJ/mol Joback Calculated Property
logPoct/wat 2.39 Crippen Calculated Property
Pc 3740.80 kPa Joback Calculated Property
Tboil 706.18 K Joback Calculated Property
Tc 924.38 K Joback Calculated Property
Tfus 477.56 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 424.54 J/mol×K 706.18 Joback Calculated Property
η 0.00 Pa×s 706.18 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 3
-OH (alcohol) 1
=C< (ring) 3
>C< 1
-CH3 3
-OH (phenol) 1

Similar Compounds

Methyl 3,5-di-t-butylsalicylate. 5-Methylsalicylic acid. Benzaldehyde, 2-hydroxy, 5-(t-butyl). Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-. Ethyl 5-acetyl-2-hydroxybenzoate. Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, methyl ester. 5-Sec-butyl-2-hydroxybenzaldehyde. 3,5-Di-tert-butylbenzoic acid. Benzoic acid, 2-hydroxy-5-methyl-, methyl ester. Benzaldehyde, 2-hydroxy, 3,5-di(t-butyl). Hydroxytoluic acid. Benzoic acid, 3-(1-methylethyl)-. 2-Methoxy-5-methylbenzoic acid. 2,4-tert-butyl-6-hydroxym ethyl-phenol. 4-methyl-2-tert-butyl-6-hydroxym ethyl-phenol.

Find more compounds similar to Benzoic acid, 5-(1,1-dimethylethyl)-2-hydroxy-.

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