Chemical Properties of Benzeneacetic acid, .alpha.-ethyl- (CAS 90-27-7)

Benzeneacetic acid, .alpha.-ethyl-

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InChI
InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI Key
OFJWFSNDPCAWDK-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CCC(C(=O)O)c1ccccc1
Molecular Weight1
164.20
CAS
90-27-7
Other Names
  • (.+/-.)-2-Phenylbutanoic acid
  • (.+/-.)-2-Phenylbutyric acid
  • 2-Phenylbutanoic acid
  • 2-Phenylbutyric acid
  • Butyric acid, 2-phenyl-
  • NSC 1860
  • «alpha»-Ethylphenylacetic acid
  • «alpha»-Phenyl-n-butyric acid
  • «alpha»-Phenylbutyric acid
  • «alpha»-Toluic acid, «alpha»-ethyl-
  • «alpha»Ethylbenzeneacetic acid
Sources

Physical Properties

Property Value Unit Source
Δf -122.45 kJ/mol Joback Calculated Property
Δfgas -283.29 kJ/mol Joback Calculated Property
Δfus 17.86 kJ/mol Joback Calculated Property
Δvap 63.17 kJ/mol Joback Calculated Property
logPoct/wat 2.26 Crippen Calculated Property
Pc 3526.27 kPa Joback Calculated Property
Tboil 544.20 K NIST
Tc 804.72 K Joback Calculated Property
Tfus 324.63 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 328.11 J/mol×K 600.49 Joback Calculated Property
η 0.00 Pa×s 600.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CH3 1
=CH- (ring) 5
-OH (alcohol) 1
=C< (ring) 1
-CH2- 1
>C=O (nonring) 1

Similar Compounds

Benzeneacetic acid, .alpha.-ethyl-, methyl ester. Butanedioic acid, phenyl-. Benzeneacetic acid, «alpha»-ethyl-, ethyl ester. 2-(p-Chlorophenyl)-3-methylbutyric acid. Benzeneacetic acid, «alpha»-methyl-, (R)-. Benzeneacetic acid, «alpha»-methyl-, (S)-. Benzeneacetic acid, «alpha»-methyl-. Ibuprofen. Butyric acid, 2-phenyl-, butyl ester. Butyric acid, 2-phenyl-, isopropyl ester. Butyric acid, 2-phenyl-, isobutyl ester. Butyric acid, 2-phenyl-, pentyl ester. 2-(4-Methylphenyl)propanoic acid. (.+/-.)-2-Phenylbutyric acid, trimethylsilyl ester. Propanoic acid, 2-(4-ethylphenyl).

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