Chemical Properties of Phenol, 2-propyl- (CAS 644-35-9)

Phenol, 2-propyl-

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InChI
InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChI Key
LCHYEKKJCUJAKN-UHFFFAOYSA-N
Formula
C9H12O
SMILES
CCCc1ccccc1O
Molecular Weight1
136.19
CAS
644-35-9
Other Names
  • 1-Hydroxy-2-n-propylbenzene
  • 2-Propylphenol
  • 2-n-Propylphenol
  • Phenol, o-propyl-
  • o-Propylphenol
  • o-n-Propylphenol
Sources

Physical Properties

Property Value Unit Source
Δf -17.31 kJ/mol Joback Calculated Property
Δfgas -169.87 kJ/mol Joback Calculated Property
Δfus 18.89 kJ/mol Joback Calculated Property
Δvap 50.92 kJ/mol Joback Calculated Property
logPoct/wat 2.34 Crippen Calculated Property
Pc 3896.50 kPa Joback Calculated Property
Tboil [492.55; 498.20] K Show Hide
Tboil 498.20 K NIST
Tboil 493.20 K NIST
Tboil 493.15 ± 2.00 K NIST
Tboil 493.15 ± 2.00 K NIST
Tboil 492.55 ± 2.00 K NIST
Tboil 497.15 ± 3.00 K NIST
Tc 734.79 K Joback Calculated Property
Tfus 280.15 ± 2.00 K NIST
Tfus 280.15 ± 2.00 K NIST
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 267.25 J/mol×K 512.62 Joback Calculated Property
η 0.00 Pa×s 512.62 Joback Calculated Property
ΔvapH [53.00; 59.90] kJ/mol [436.00; 442.50] Show Hide
ΔvapH 56.90 kJ/mol 436.0 NIST
ΔvapH 59.90 kJ/mol 442.5 NIST
ΔvapH 57.20 kJ/mol 442.5 NIST
ΔvapH 53.00 kJ/mol 442.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 2
-CH3 1
-OH (phenol) 1
=CH- (ring) 4

Similar Compounds

Phenol, 2-butyl-. Phenol, 2-(2-methylpropyl)-. Phenol, 2-pentyl-. 2-n-Hexylphenol. Phenol, 2-ethyl-. 1,3-Benzenediol, 4-propyl-. Phenol, 2-octyl-. 2-METHYL-6-PROPYLPHENOL. Phenol, 2-(1-methylpropyl)-. 4-METHYL-2-PROPYLPHENOL. 2-Propylphenol, methyl ether. 2-Ethyl-5-n-propylphenol. 1,3-Dihydroxy-4-pentylbenzene. Phenol, 2-(1-methylethyl)-. Benzeneethanol, 2-hydroxy-.

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