Chemical Properties of Salicylic acid, tert.-butyl ester

Salicylic acid, tert.-butyl ester

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InChI
InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-6-4-5-7-9(8)12/h4-7,12H,1-3H3
InChI Key
QAZYGHLQQPTQAX-UHFFFAOYSA-N
Formula
C11H14O3
SMILES
CC(C)(C)OC(=O)c1ccccc1O
Molecular Weight1
194.23
Sources

Physical Properties

Property Value Unit Source
Δf -231.55 kJ/mol Joback Calculated Property
Δfgas -464.70 kJ/mol Joback Calculated Property
Δfus 19.44 kJ/mol Joback Calculated Property
Δvap 63.23 kJ/mol Joback Calculated Property
logPoct/wat 2.35 Crippen Calculated Property
Pc 3345.11 kPa Joback Calculated Property
Tboil 631.44 K Joback Calculated Property
Tc 864.06 K Joback Calculated Property
Tfus 426.45 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 401.94 J/mol×K 631.44 Joback Calculated Property
η 0.00 Pa×s 631.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
>C< 1
>C=O (nonring) 1
-OH (phenol) 1

Similar Compounds

Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Benzoic acid, 2-hydroxy-, ethyl ester. Salicylic acid, 1-methylpropyl ester. Salicylic acid, n-propyl ester. Benzoic acid, 2-hydroxy-, 2-propenyl ester. 2-Hydroxyethyl salicylate. Ethylene glycol, O-methyl-, O'-salicylate. 2-[(2-Hydroxybenzoyl)oxy]ethyl salicylate. Benzoic acid, 2-hydroxy-, 2-methylpropyl ester. Benzoic acid, 2-methoxy-, tert.-butyl ester. Benzoic acid, 2-hydroxy-, 3-methyl-2-butenyl ester. Benzoic acid, 2-hydroxy-, butyl ester. Benzoic acid, 2-hydroxy-, methyl ester. Benzoic acid, 2-hydroxy-, pentyl ester. Benzoic acid, 2-methoxy-, isopropyl ester.

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