Chemical Properties of 3-Phenylbutyric acid (CAS 4593-90-2)

3-Phenylbutyric acid

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InChI
InChI=1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChI Key
ZZEWMYILWXCRHZ-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CC(CC(=O)O)c1ccccc1
Molecular Weight1
164.20
CAS
4593-90-2
Other Names
  • «beta»-Phenyl-n-butyric acid
  • Benzenepropanoic acid, «beta»-methyl-
  • 3-Phenylbutanoic acid
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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
log10WS -2.17 Crippen Calculated Property
logPoct/wat 2.265 Crippen Calculated Property
McVol 135.440 ml/mol McGowan Calculated Property
Pc 3526.27 kPa Joback Calculated Property
Tboil 600.49 K Joback Calculated Property
Tc 804.72 K Joback Calculated Property
Tfus 324.63 K Joback Calculated Property
Vc 0.506 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [328.11; 387.38] J/mol×K [600.49; 804.72] Show Hide
Cp,gas 328.11 J/mol×K 600.49 Joback Calculated Property
Cp,gas 339.69 J/mol×K 634.53 Joback Calculated Property
Cp,gas 350.55 J/mol×K 668.57 Joback Calculated Property
Cp,gas 360.71 J/mol×K 702.61 Joback Calculated Property
Cp,gas 370.22 J/mol×K 736.64 Joback Calculated Property
Cp,gas 379.10 J/mol×K 770.68 Joback Calculated Property
Cp,gas 387.38 J/mol×K 804.72 Joback Calculated Property
η [0.0000861; 0.0090484] Pa×s [324.63; 600.49] Show Hide
η 0.0090484 Pa×s 324.63 Joback Calculated Property
η 0.0025745 Pa×s 370.61 Joback Calculated Property
η 0.0009668 Pa×s 416.58 Joback Calculated Property
η 0.0004411 Pa×s 462.56 Joback Calculated Property
η 0.0002319 Pa×s 508.54 Joback Calculated Property
η 0.0001356 Pa×s 554.51 Joback Calculated Property
η 0.0000861 Pa×s 600.49 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 444.20 K 2.70 NIST

Similar Compounds

Benzenepropanoic acid, «beta»-methyl-, methyl ester. 3-(4-Tolyl)butanoic acid methyl ester. Hydrocinnamic acid, p-methoxy-«beta»-methyl-, methyl ester. 3-Phenyl-1-butanol. Methyl 3-(1,1'-biphenyl-4-yl)butanoate. Hydrocinnamic acid, «beta»-methyl-p-nitro-, methyl ester. 3-Phenylbutyric acid, TBDMS. cis-1-Phenylcyclopropane-2-carboxylic acid. trans-2-Phenyl-1-cyclopropanecarboxylic acid. Baclofen. 3-Phenylcyclobutanone. Butanedioic acid, phenyl-. 3-Phenylbutyrophenone. Butyric acid, 3-methyl-3-[2-isopropylphenyl]-. Hexanoic acid, 4-phenyl-.

Find more compounds similar to 3-Phenylbutyric acid.

Sources

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