Chemical Properties of Benzoic acid, 2-hydroxy-, phenylmethyl ester (CAS 118-58-1)

Benzoic acid, 2-hydroxy-, phenylmethyl ester

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InChI
InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChI Key
ZCTQGTTXIYCGGC-UHFFFAOYSA-N
Formula
C14H12O3
SMILES
O=C(OCc1ccccc1)c1ccccc1O
Molecular Weight1
228.24
CAS
118-58-1
Other Names
  • Benzyl o-hydroxybenzoate
  • Benzyl salicylate
  • Salicyclic acid benzyl ester
  • Salicylic acid, benzyl ester
  • benzyle salicylate
Sources

Physical Properties

Property Value Unit Source
Δf -96.72 kJ/mol Joback Calculated Property
Δfgas -281.34 kJ/mol Joback Calculated Property
Δfus 28.67 kJ/mol Joback Calculated Property
Δvap 73.48 kJ/mol Joback Calculated Property
logPoct/wat 2.75 Crippen Calculated Property
Pc 3439.94 kPa Joback Calculated Property
Tboil 729.99 K Joback Calculated Property
Tc 979.95 K Joback Calculated Property
Tfus 295.15 ± 1.50 K NIST
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.36 J/mol×K 729.99 Joback Calculated Property
η 0.00 Pa×s 729.99 Joback Calculated Property
ΔvapH 78.70 kJ/mol 314.5 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 9
=C< (ring) 3
-CH2- 1
>C=O (nonring) 1
-OH (phenol) 1

Similar Compounds

Verimol K. Benzoic acid, 2-hydroxy-, methyl ester. 2-Methoxybenzoic acid, 2-methoxybenzyl ester. Benzoic acid, 2,6-dihydroxy-, methyl ester. 2-Methoxybenzoic acid anhydride. Benzoic acid, 2-hydroxy-, ethyl ester. Benzyl 2-hydroxy-6-methoxybenzoate. Methyl 2,4-dihydroxybenzoate. Benzoic acid, 2-hydroxy-, 2-propenyl ester. 2-Hydroxyethyl salicylate. Benzoic acid, 2-hydroxy-, 1-methylethyl ester. Methyl 2,4,6-trihydroxybenzoate. Salicylic acid, n-propyl ester. Ethylene glycol, O-methyl-, O'-salicylate. Benzoic acid, 2,5-dihydroxy-, methyl ester.

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