Chemical Properties of 3-Phenoxypropionic acid (CAS 7170-38-9)

3-Phenoxypropionic acid

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InChI
InChI=1S/C9H10O3/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key
BUSOTUQRURCMCM-UHFFFAOYSA-N
Formula
C9H10O3
SMILES
O=C(O)CCOc1ccccc1
Molecular Weight1
166.17
CAS
7170-38-9
Other Names
  • 3-Phenoxypropanoic acid
  • Propanoic acid, 3-phenoxy-
  • «beta»-Phenoxypropionic acid
Sources

Physical Properties

Property Value Unit Source
Δf -233.43 kJ/mol Joback Calculated Property
Δfgas -389.59 kJ/mol Joback Calculated Property
Δfus 19.98 kJ/mol Joback Calculated Property
Δvap 63.74 kJ/mol Joback Calculated Property
logPoct/wat 1.54 Crippen Calculated Property
Pc 3843.54 kPa Joback Calculated Property
Tboil 513.20 K NIST
Tc 801.75 K Joback Calculated Property
Tfus 350.59 K Joback Calculated Property
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 304.10 J/mol×K 600.47 Joback Calculated Property
η 0.00 Pa×s 600.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
-CH2- 2
>C=O (nonring) 1

Similar Compounds

Propanoic acid, 3-phenoxy-, methyl ester. 1-Propanol, 3-phenoxy-. 1,3-Diphenoxypropane. 3-(p-Methoxyphenyl)propionic acid. Propoxybenzene. Butoxybenzene. Benzene, (2-methylpropoxy)-. 4-Propoxyphenol. p-di-n-Propoxybenzene. Benzene, (3-bromopropoxy)-. 3-Phenoxypropyl acetate. Ether, isopentyl phenyl. Phenol, 4-butoxy-. Propanoic acid, phenyl ester. 1,2-Propanediol, 3-phenoxy-.

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