Chemical Properties of 1-Octanol (CAS 111-87-5)

1-Octanol

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InChI
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChI Key
KBPLFHHGFOOTCA-UHFFFAOYSA-N
Formula
C8H18O
SMILES
CCCCCCCCO
Molecular Weight1
130.23
CAS
111-87-5
Other Names
  • 1-Hydroxyoctane
  • 1-Octyl alcohol
  • Alcohol C-8
  • Alfol 8
  • Caprylic alcohol
  • Dytol M-83
  • Emery 3322
  • Emery 3324
  • Epal 8
  • Heptyl carbinol
  • Lorol 20
  • Lorol C 8-98
  • NSC 9823
  • Octan-1-ol
  • Octanol
  • Octanol-(1)
  • Octilin
  • Octyl alcohol
  • Octyl alcohol, normal-primary
  • Prim-n-octyl alcohol
  • Primary octyl alcohol
  • Sipol L8
  • n-Heptyl carbinol
  • n-Octan-1-ol
  • n-Octanol
  • n-Octyl alcohol
Sources

Physical Properties

Property Value Unit Source
PAff 799.00 kJ/mol NIST
Δcliquid [-5295.50; -5285.60] kJ/mol Show Hide
Δcliquid -5294.00 ± 0.60 kJ/mol NIST
Δcliquid -5295.50 ± 1.00 kJ/mol NIST
Δcliquid -5285.70 ± 2.70 kJ/mol NIST
Δcliquid -5285.60 kJ/mol NIST
Δf -120.34 kJ/mol Joback Calculated Property
Δfgas [-362.20; -354.10] kJ/mol Show Hide
Δfgas -355.50 kJ/mol NIST
Δfgas -355.60 ± 0.70 kJ/mol NIST
Δfgas -356.90 ± 1.30 kJ/mol NIST
Δfgas -354.10 kJ/mol NIST
Δfgas -354.20 ± 1.20 kJ/mol NIST
Δfgas Outlier -362.20 ± 3.10 kJ/mol NIST
Δfliquid [-435.00; -425.20] kJ/mol Show Hide
Δfliquid -426.60 ± 0.60 kJ/mol NIST
Δfliquid -428.00 ± 1.10 kJ/mol NIST
Δfliquid -425.20 ± 1.10 kJ/mol NIST
Δfliquid -435.00 ± 2.70 kJ/mol NIST
Δfus 20.56 kJ/mol Joback Calculated Property
Δsub 100.40 kJ/mol NIST
Δvap [69.30; 72.80] kJ/mol Show Hide
Δvap 70.98 kJ/mol NIST
Δvap 69.30 kJ/mol NIST
Δvap 70.10 kJ/mol NIST
Δvap 71.60 kJ/mol NIST
Δvap 70.98 ± 0.42 kJ/mol NIST
Δvap 71.00 ± 0.40 kJ/mol NIST
Δvap 71.10 ± 0.40 kJ/mol NIST
Δvap 71.10 kJ/mol NIST
Δvap 72.80 ± 1.70 kJ/mol NIST
Δvap 72.80 kJ/mol NIST
logPoct/wat 2.34 Crippen Calculated Property
Pc [1777.00; 2860.00] kPa Show Hide
Pc 2780.00 ± 30.00 kPa NIST
Pc 2850.00 ± 50.00 kPa NIST
Pc Outlier 1777.00 ± 20.00 kPa NIST
Pc 2777.00 ± 20.00 kPa NIST
Pc 2860.00 kPa NIST
Pc 2860.00 kPa NIST
Tboil [371.20; 469.20] K Show Hide
Tboil Outlier 371.20 K NIST
Tboil 467.85 ± 0.60 K NIST
Tboil 469.20 K NIST
Tboil 467.60 K NIST
Tboil 468.35 ± 0.50 K NIST
Tboil 468.15 ± 1.00 K NIST
Tboil 468.00 ± 2.00 K NIST
Tboil 468.15 ± 1.00 K NIST
Tboil 468.15 ± 1.00 K NIST
Tboil 467.35 ± 1.00 K NIST
Tboil 468.15 ± 0.50 K NIST
Tboil 468.15 ± 2.00 K NIST
Tboil 466.35 ± 1.00 K NIST
Tboil 467.65 ± 1.00 K NIST
Tboil 467.75 ± 1.00 K NIST
Tboil 468.15 ± 2.00 K NIST
Tboil 468.43 ± 0.20 K NIST
Tboil 469.15 ± 2.00 K NIST
Tboil 467.65 ± 1.00 K NIST
Tboil 468.35 ± 0.25 K NIST
Tboil 468.15 ± 3.90 K NIST
Tboil 467.65 ± 2.00 K NIST
Tboil 468.15 ± 2.00 K NIST
Tboil 467.65 ± 0.40 K NIST
Tboil 467.85 ± 0.50 K NIST
Tboil 467.60 ± 0.50 K NIST
Tboil 469.15 ± 3.00 K NIST
Tboil 468.30 ± 0.30 K NIST
Tboil 468.30 ± 0.50 K NIST
Tboil 468.30 ± 0.50 K NIST
Tboil 468.30 ± 1.00 K NIST
Tboil 467.20 ± 0.40 K NIST
Tboil 468.15 ± 2.00 K NIST
Tboil 452.65 ± 3.00 K NIST
Tboil 468.65 ± 1.00 K NIST
Tboil 469.05 ± 1.00 K NIST
Tboil 467.30 ± 2.00 K NIST
Tboil 451.65 ± 1.50 K NIST
Tboil 468.40 ± 3.00 K NIST
Tboil 468.65 ± 3.00 K NIST
Tboil 468.65 ± 1.00 K NIST
Tboil 464.15 ± 3.00 K NIST
Tc [650.56; 668.00] K Show Hide
Tc 652.50 ± 0.50 K NIST
Tc 652.20 ± 0.80 K NIST
Tc 652.40 ± 0.60 K NIST
Tc 652.40 ± 0.60 K NIST
Tc 652.60 K NIST
Tc 650.56 ± 0.30 K NIST
Tc 652.50 K NIST
Tc Outlier 668.00 ± 2.00 K NIST
Tc 657.80 K NIST
Tc 658.60 K NIST
Tfus [256.20; 258.35] K Show Hide
Tfus 258.35 ± 0.05 K NIST
Tfus 258.03 ± 0.08 K NIST
Tfus 256.20 ± 0.50 K NIST
Tfus 256.25 ± 0.40 K NIST
Tfus 256.40 ± 0.50 K NIST
Tfus 256.90 ± 0.40 K NIST
Vc 0.50 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 290.08 J/mol×K 474.62 Joback Calculated Property
Cp,liquid [284.50; 329.50] J/mol×K [286.00; 310.67] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 284.50 J/mol×K 286.0 NIST
Cp,liquid 312.10 J/mol×K 298.0 NIST
Cp,liquid 324.30 J/mol×K 298.0 NIST
Cp,liquid 304.00 J/mol×K 298.15 NIST
Cp,liquid 305.55 J/mol×K 298.15 NIST
Cp,liquid 329.50 J/mol×K 303.2 NIST
Cp,liquid 318.30 J/mol×K 310.67 NIST
η 0.00 Pa×s 474.62 Joback Calculated Property
ΔfusH 25.24 kJ/mol 258.4 NIST
ΔvapH [47.80; 70.40] kJ/mol [267.00; 515.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 64.00 ± 1.00 kJ/mol 267.0 NIST
ΔvapH 64.00 kJ/mol 274.5 NIST
ΔvapH 69.60 kJ/mol 301.5 NIST
ΔvapH 68.70 kJ/mol 318.0 NIST
ΔvapH 70.40 kJ/mol 323.0 NIST
ΔvapH 67.30 kJ/mol 364.0 NIST
ΔvapH 61.60 kJ/mol 396.0 NIST
ΔvapH 67.50 kJ/mol 405.5 NIST
ΔvapH 65.00 kJ/mol 410.0 NIST
ΔvapH 56.60 kJ/mol 438.0 NIST
ΔvapH 52.50 kJ/mol 452.0 NIST
ΔvapH 47.80 kJ/mol 515.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 7
-CH3 1
-OH (alcohol) 1

Similar Compounds

1,15-Pentadecanediol. 1-Docosanol. 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-Hexadecanol. N-tetracosanol-1. 1,22-Docosanediol.

Find more compounds similar to 1-Octanol.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.