Chemical Properties of 4-(n-Butoxyphenyl)acetic acid (CAS 4547-57-3)

4-(n-Butoxyphenyl)acetic acid

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InChI
InChI=1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14)
InChI Key
KLJMYYFCWBVKEE-UHFFFAOYSA-N
Formula
C12H16O3
SMILES
CCCCOc1ccc(CC(=O)O)cc1
Molecular Weight1
208.25
CAS
4547-57-3
Other Names
  • 4-Butoxyphenylacetic acid
  • Acetic acid, (p-butoxyphenyl)-
  • Benzeneacetic acid, 4-butoxy-
  • p-(Butoxyphenyl)acetic acid
Sources

Physical Properties

Property Value Unit Source
Δf -217.80 kJ/mol Joback Calculated Property
Δfgas -462.98 kJ/mol Joback Calculated Property
Δfus 27.36 kJ/mol Joback Calculated Property
Δvap 71.08 kJ/mol Joback Calculated Property
logPoct/wat 2.49 Crippen Calculated Property
Pc 2724.01 kPa Joback Calculated Property
Tboil 674.09 K Joback Calculated Property
Tc 868.90 K Joback Calculated Property
Tfus 396.92 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 449.24 J/mol×K 674.09 Joback Calculated Property
η 0.00 Pa×s 674.09 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

4-Ethoxyphenylacetic acid. (4-pentoxy-phenyl)-acetic acid, methyl ester. (4-Hexyloxy-phenyl)-acetic acid, methyl ester. Benzeneacetic acid, 4-methoxy-. (4-Isobutoxy-phenyl)-acetic acid, methyl ester. (4-Isopropoxy-phenyl)-acetic acid, methyl ester. 4-Ethoxyphenethyl alcohol. (4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester. Benzeneacetic acid, 4-methoxy-, methyl ester. 4-Butoxyphenylacetonitrile. Propanoic acid, 2-(4-methoxyphenyl). 4-methoxyphenylacetaldehyde. Benzeneacetic acid, 4-hydroxy-. 4-Methoxyphenylacetic acid ethyl ester. 2-(4-Methoxyphenyl)ethanol.

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