Chemical Properties of 4-Phenylbutanoic acid (CAS 1821-12-1)

4-Phenylbutanoic acid

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InChI
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChI Key
OBKXEAXTFZPCHS-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
O=C(O)CCCc1ccccc1
Molecular Weight1
164.20
CAS
1821-12-1
Other Names
  • 4-Phenyl-n-butyric acid
  • 4-Phenylbutanoic acid
  • 4-Phenylbutyric acid
  • Benzenebutyric acid
  • Butyric acid, 4-phenyl-
  • Phenylbutyric acid
  • «gamma»-Phenyl-n-butyric acid
  • «gamma»-Phenylbutyric acid
  • «omega»-Phenylbutanoic acid
Sources

Physical Properties

Property Value Unit Source
Δf -120.01 kJ/mol Joback Calculated Property
Δfgas -278.01 kJ/mol Joback Calculated Property
Δfus 21.38 kJ/mol Joback Calculated Property
Δsub 113.00 ± 1.00 kJ/mol NIST
Δvap 63.55 kJ/mol Joback Calculated Property
IE 9.00 ± 0.10 eV NIST
logPoct/wat 2.09 Crippen Calculated Property
Pc 3493.01 kPa Joback Calculated Property
Tboil 563.20 K NIST
Tboil 438.20 K NIST
Tc 801.20 K Joback Calculated Property
Tfus 339.63 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 327.65 J/mol×K 600.93 Joback Calculated Property
η 0.00 Pa×s 600.93 Joback Calculated Property
ΔfusH 19.50 kJ/mol 324.2 NIST
ΔsubH 112.40 ± 0.80 kJ/mol 316.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 3
>C=O (nonring) 1
-OH (alcohol) 1
=CH- (ring) 5

Similar Compounds

4-(Para-tolyl)-butyric acid. 4-Phenylbutanoic acid methyl ester. BENZENEBUTANOL. 4-Phenylbutanal. Butyric acid, 4-phenyl-, butyl ester. Butyric acid, 4-phenyl-, pentyl ester. 5-Phenylvaleric acid. Butyric acid, 4-phenyl-, isobutyl ester. 4-(4-Hydroxyphenyl)butanoic acid methyl ester. 6-Phenylhexanoic acid. Butyric acid, 4-phenyl-, hexyl ester. 4-(4-Aminophenyl)butanoic acid methyl ester. 5-Phenyl-2-pentanone. Butyric acid, 4-phenyl-, tetradecyl ester. Butyric acid, 4-phenyl-, nonyl ester.

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