Chemical Properties of Benzoic acid, 4-hydroxy-, pentyl ester (CAS 6521-29-5)

Benzoic acid, 4-hydroxy-, pentyl ester

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InChI
InChI=1S/C12H16O3/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h5-8,13H,2-4,9H2,1H3
InChI Key
ZNSSPLQZSUWFJT-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CCCCCOC(=O)c1ccc(O)cc1
Molecular Weight1
208.25
CAS
6521-29-5
Other Names
  • Amyl 4-hydroxybenzoate
  • Benzoic acid, p-hydroxy-, pentyl ester
  • NSC 309817
  • Pentyl 4-hydroxybenzoate
  • Pentyl p-hydroxybenzoate
  • n-Amyl 4-hydroxybenzoate
  • p-Hydroxybenzoic acid pentyl ester
  • p-Oxybenzoesaurepentylester
Sources

Physical Properties

Property Value Unit Source
Δf -225.97 kJ/mol Joback Calculated Property
Δfgas -476.59 kJ/mol Joback Calculated Property
Δfus 29.45 kJ/mol Joback Calculated Property
Δvap 66.75 kJ/mol Joback Calculated Property
logPoct/wat 2.74 Crippen Calculated Property
Pc 2940.89 kPa Joback Calculated Property
Tboil 657.55 K Joback Calculated Property
Tc 873.24 K Joback Calculated Property
Tfus 435.30 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 448.08 J/mol×K 657.55 Joback Calculated Property
η 0.00 Pa×s 657.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 4
-CH3 1
-OH (phenol) 1

Similar Compounds

Benzoic acid, 4-hydroxy-, n-heptyl ester. Dodecyl p-hydroxybenzoate. P-hydroxybenzoic acid, n-butyl ester. Benzoic acid, 4-hydroxy-, 3-methylbutyl ester. N-propyl-p-hydroxy-benzoate. Benzoic acid, 4-hydroxy-, 2-methylbutyl ester. Amyl anisate. p-Methoxybenzoic acid, hexyl ester. Isobutyl 4-hydroxybenzoate. Benzoic acid, 4-methoxy-, heptyl ester. p-Methoxybenzoic acid, hexadecyl ester. P-anisic acid, heptadecyl ester. P-methoxybenzoic acid, tridecyl ester. Benzoic acid, 4-methoxy-, pentadecyl ester. Benzoic acid, 4-methoxy-, decyl ester.

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