Chemical Properties of Hexylresorcinol (CAS 136-77-6)

Hexylresorcinol

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InChI
InChI=1S/C12H18O2/c1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h7-9,13-14H,2-6H2,1H3
InChI Key
WFJIVOKAWHGMBH-UHFFFAOYSA-N
Formula
C12H18O2
SMILES
CCCCCCc1ccc(O)cc1O
Molecular Weight1
194.27
CAS
136-77-6
Other Names
  • 1,3-Benzenediol, 4-hexyl-
  • 1,3-Dihydroxy-4-Hexylbenzene
  • 1,3-Dihydroxy-4-n-hexylbenzene
  • 1-(2',4'-Dihydroxyphenyl)hexane
  • 4-(1-Hexyl)resorcinol
  • 4-Hexyl-1,3-benzenediol
  • 4-Hexyl-1,3-dihydroxybenzene
  • 4-Hexylresorcine
  • 4-Hexylresorcinol
  • 4-n-Hexylresorcinol
  • Adrover
  • Antascarin
  • Ascaricid
  • Ascarinol
  • Ascaryl
  • Caprokol
  • Crystoids
  • Cystoids Anthelmintic
  • Gelovermin
  • Hexylresorcin
  • Hidesol
  • Mycoderm
  • NCI-C55787
  • NSC 1570
  • Oxana
  • Prensol
  • Resorcinol, 4-hexyl-
  • S.T. 37
  • ST-37
  • Sucrets
  • Worm-agen
  • p-Hexylresorcinol
Sources

Physical Properties

Property Value Unit Source
Δf -146.67 kJ/mol Joback Calculated Property
Δfgas -409.10 kJ/mol Joback Calculated Property
Δfus 32.44 kJ/mol Joback Calculated Property
Δvap 70.61 kJ/mol Joback Calculated Property
logPoct/wat 3.22 Crippen Calculated Property
Pc 3299.15 kPa Joback Calculated Property
Tboil 607.20 K NIST
Tboil 452.20 K NIST
Tc 882.46 K Joback Calculated Property
Tfus 341.00 ± 0.10 K NIST
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 458.64 J/mol×K 661.88 Joback Calculated Property
η 0.00 Pa×s 661.88 Joback Calculated Property
ΔfusH 19.04 kJ/mol 341.5 NIST
ΔfusH 19.04 kJ/mol 341.5 NIST
ΔvapH 88.10 kJ/mol 464.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-CH2- 5
-CH3 1
-OH (phenol) 2
=CH- (ring) 3

Similar Compounds

4-n-Dodecylresorcinol. 1,3-Dihydroxy-4-pentylbenzene. 1,3-Benzenediol, 4-propyl-. 2-n-Hexylphenol. Phenol, 2-octyl-. Phenol, 2-pentyl-. 4-Cyclohexylresorcinol. Phenol, 2-butyl-. Benzene, 1,3-dimethoxy-4-hexyl. P-cresol, 2,2'-decamethylenedi-. Benzene, 1,3-dimethoxy-4-heptyl. 2,4-Dinonylphenol. 1,3-Benzenediol, 4-ethyl-. Benzene, 1,3-dimethoxy-4-decyl. Benzene, 1,3-dimethoxy-4-octyl.

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