Chemical Properties of 1-Docosanol (CAS 661-19-8)

1-Docosanol

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InChI
InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3
InChI Key
NOPFSRXAKWQILS-UHFFFAOYSA-N
Formula
C22H46O
SMILES
CCCCCCCCCCCCCCCCCCCCCCO
Molecular Weight1
326.60
CAS
661-19-8
Other Names
  • 1-Docosanol
  • Abreva
  • Behenyl alcohol
  • Cachalot BE-22
  • Dehydag wax 22 (lanette)
  • Docosan-1-ol
  • Docosanol
  • Docosanol-(1)
  • Docosyl alcohol
  • Emery 3304
  • IK 2
  • Lanette 22
  • Loxiol VPG 1451
  • N-Eicosanol
  • NAA 422
  • NSC 8407
  • Nacol 22-97
  • Stenol 1822
  • Stenol 1822A
  • Tadenan
  • n-Docosanol
Sources

Physical Properties

Property Value Unit Source
Δcliquid -14450.00 ± 10.00 kJ/mol NIST
Δf -2.46 kJ/mol Joback Calculated Property
Δfgas -649.64 kJ/mol Joback Calculated Property
Δfus 56.82 kJ/mol Joback Calculated Property
Δsub 207.00 ± 10.00 kJ/mol NIST
Δsub 239.00 ± 10.00 kJ/mol NIST
Δvap 135.90 ± 0.80 kJ/mol NIST
logPoct/wat 7.80 Crippen Calculated Property
Pc 953.78 kPa Joback Calculated Property
Tboil 453.20 K NIST
Tc 973.24 K Joback Calculated Property
Tfus 343.00 ± 0.25 K NIST
Tfus 342.40 ± 0.60 K NIST
Tfus 343.20 ± 3.00 K NIST
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1050.02 J/mol×K 794.94 Joback Calculated Property
η 0.00 Pa×s 794.94 Joback Calculated Property
ΔfusH 17.24 kJ/mol 333.9 NIST
ΔfusH 46.57 kJ/mol 345.2 NIST
ΔsubH 207.00 ± 10.00 kJ/mol 338.0 NIST
ΔvapH 115.30 kJ/mol 401.5 NIST
ΔfusS 50.72 J/mol×K 333.9 NIST
ΔfusS 134.90 J/mol×K 345.2 NIST

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
-CH3 1
-CH2- 21

Similar Compounds

1,15-Pentadecanediol. 1-Nonadecanol. 1,12-Dodecanediol. 1,11-Undecanediol. 1-Tetradecanol. 1,9-Nonanediol. 1-Eicosanol. 1,14-Tetradecanediol. 1,8-Octanediol. 1-Nonanol. 1-Heptacosanol. 1-Octanol. 1-Hexadecanol. N-tetracosanol-1. 1,22-Docosanediol.

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