Chemical Properties of 3-Phenylpropanol (CAS 122-97-4)

3-Phenylpropanol

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InChI
InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChI Key
VAJVDSVGBWFCLW-UHFFFAOYSA-N
Formula
C9H12O
SMILES
OCCCc1ccccc1
Molecular Weight1
136.19
CAS
122-97-4
Other Names
  • (3-Hydroxypropyl)benzene
  • 1-Hydroxy-3-phenylpropane
  • 1-Propanol, 3-phenyl-
  • 3- Phenylprophyl alcohol
  • 3-Benzenepropanol
  • 3-Phenyl-1-propanol
  • 3-Phenyl-n-propanol
  • 3-Phenylpropan-1-ol
  • 3-Phenylpropyl alcohol
  • Benzenepropanol
  • Dihydrocinnamyl alcohol
  • Hydrocinnamic alcohol
  • Hydrocinnamyl alcohol
  • NSC 16942
  • Phenylpropyl alcohol
  • Phenylpropylic alcohol
  • «gamma»-Phenylpropanol
  • «gamma»-Phenylpropyl alcohol
Sources

Physical Properties

Property Value Unit Source
Δf 0.49 kJ/mol Joback Calculated Property
Δfgas -144.79 kJ/mol Joback Calculated Property
Δfus 17.20 kJ/mol Joback Calculated Property
Δvap 54.58 kJ/mol Joback Calculated Property
logPoct/wat 1.61 Crippen Calculated Property
Pc 3633.35 kPa Joback Calculated Property
Tboil [392.20; 515.15] K Show Hide
Tboil 508.20 K NIST
Tboil 515.15 ± 0.40 K NIST
Tboil 486.00 ± 2.00 K NIST
Tboil 392.20 K NIST
Tc 719.09 K Joback Calculated Property
Tfus 278.43 K Joback Calculated Property
Vc 0.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 266.71 J/mol×K 524.18 Joback Calculated Property
Cp,liquid 280.74 J/mol×K 298.15 NIST
η 0.00 Pa×s 524.18 Joback Calculated Property
ΔvapH 62.80 kJ/mol 306.0 NIST
ΔvapH 62.60 kJ/mol 427.5 NIST

Molecular Descriptors

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

Similar Compounds

Phenylpropanol. C6H5(CHC2H5) radical. Benzene, propyl-. .alpha.-Methylbenzenepropanol. 4-Phenyl-2-butanol. Formic acid, 3-phenylpropyl ester. Phenylpropanamide. 3-Phenylpropanoic acid. 1,3-Propanediol, 2-(phenylmethyl)-. Benzene, (3-chloropropyl)-. Benzenepropanenitrile. Benzene, (2-methylpropyl)-. Benzene, butyl-. Benzenepropanethiol. Benzene, 1-methyl-4-propyl-.

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