Chemical Properties of 1-Hexadecanol (CAS 124-29-8)

1-Hexadecanol

InChI
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChI Key
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Formula
C16H34O
SMILES
CCCCCCCCCCCCCCCCO
Molecular Weight1
242.44
CAS
124-29-8
Other Names
  • 1-Cetanol
  • 1-Hexadecyl alcohol
  • 1-Hexanedecanol
  • 1-Hydroxyhexadecane
  • 19141-82-3
  • Adol 52
  • Adol 52 NF
  • Adol 520
  • Adol 54
  • Alcohol c-16
  • Aldol 54
  • Alfol 16
  • Alfol 16RD
  • Atalco C
  • CO-1670
  • CO-1695
  • Cachalot C-50
  • Cachalot C-50 NF
  • Cachalot C-51
  • Cachalot C-52
  • Cetaffine
  • Cetal
  • Cetalol CA
  • Cetyl alcohol NF
  • Cetylic alcohol
  • Cetylol
  • Crodacol C
  • Crodacol C70
  • Crodacol C95 NF
  • Crodacol-CAS
  • Crodacol-CAT
  • Dytol F-11
  • Elfacos C
  • Epal 16
  • Epal 16NF
  • Ethal
  • Ethol
  • Fancol CA
  • Hexadecan-1-ol
  • Hyfatol 16
  • Hyfatol 16-95
  • Kalcol 6098
  • Lanette 16
  • Lanol C
  • Laurex 16
  • Lipocol C
  • Lorol 24
  • Lorol C16
  • LorolL 24
  • Loxanol K
  • Loxanol K extra
  • Loxanwachs SK
  • Palmitic alcohol
  • Palmityl alcohol
  • Philcohol 1600
  • Product 308
  • Rita CA
  • Siponol CC
  • Siponol wax-A
  • cetanol
  • cetyl alcohol
  • hexadecanol
  • hexadecyl alcohol
  • n-1-Hexadecanol
  • n-Hexadecan-1-ol
  • n-Hexadecanol
  • n-Hexadecyl alcohol
  • n-cetyl alcohol
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Physical Properties

Property Value Unit Source
ω [0.7788; 1.0180]   Show Hide
ω 0.8156 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω 0.7788 ChemSep v8.3 pure component data Compiled value
ω 1.0180 KDB
μ 1.67 debye ChemSep v8.3 pure component data Compiled value
ΔfG° -49.64 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfH°gas -521.80 kJ/mol ChemSep v8.3 pure component data Compiled value
ΔfusH° [56.40; 107.70] kJ/mol Show Hide
ΔfusH° 56.40 kJ/mol Solid-Liquid Equilibrium of Binary Systems Containing Fatty Acids and Fatty Alcohols Using Differential Scanning Calorimetry
ΔfusH° 107.70 kJ/mol Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T ) 298.15 K by Correlation Gas Chromatography
ΔvapH° 112.87 kJ/mol Relay (1.0) Calculated Property
IE 10.02 eV Relay (1.0) Calculated Property
log10WS [-7.26; -7.00]   Show Hide
log10WS -7.26 Aq. Solubility Prediction
log10WS -7.00 Estimated Solubility
logPoct/wat 5.460 Crippen Calculated Property
McVol 242.170 ml/mol McGowan Calculated Property
Pc [1460.09; 1610.00] kPa Show Hide
Pc 1460.09 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 1468.00 kPa ChemSep v8.3 pure component data Compiled value
Pc 1610.00 kPa KDB
Ptriple 5.40e-05 kPa ChemSep v8.3 pure component data Compiled value
Inp [1881.00; 1882.00]   Show Hide
Inp 1882.00 NIST
Inp 1881.00 NIST
Inp 1882.00 NIST
Tboil [598.00; 607.00] K Show Hide
Tboil 598.00 K ChemSep v8.3 pure component data Compiled value
Tboil 607.00 K KDB
Tc [768.60; 770.00] K Show Hide
Tc 770.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 768.60 K ChemSep v8.3 pure component data Compiled value
Tc 770.00 K KDB
Tfus [321.15; 324.23] K Show Hide
Tfus 322.20 K Phase diagrams of binary systems containing n-alkanes, or cyclohexane, or 1-alkanols and 2,3-pentanedione at atmospheric and high pressure
Tfus 322.91 K Thermodynamics of organic mixtures containing amines. VIII. Systems with quinoline
Tfus 321.15 K The manufacture of organic carbonate-poly(methyl ethylacrylate) nanowebs with thermal buffering effect
Tfus 322.20 K High Pressure Solid-Liquid Equilibrium of Fatty Alcohols Binary Systems from 1-Dodecanol, 1-Tetradecanol, 1-Hexadecanol, and 1-Octadecanol
Tfus 322.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 322.35 K ChemSep v8.3 pure component data Compiled value
Tfus 322.40 K KDB
Tfus Outlier 324.23 K Aq. Solubility Prediction
Ttriple 322.35 K ChemSep v8.3 pure component data Compiled value
UQi 10.15 ChemSep v8.3 pure component data Compiled value
URi 12.02 ChemSep v8.3 pure component data Compiled value
Vc [0.937; 1.080] m3/kmol Show Hide
Vc 0.937 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc 1.080 m3/kmol ChemSep v8.3 pure component data Compiled value
Vc 0.951 m3/kmol KDB
Zc [0.2390290; 0.2480000]   Show Hide
Zc 0.2480000 ChemSep v8.3 pure component data Compiled value
Zc 0.2390290 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 73.35 kJ/mol 617.20 KDB

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboil(P) 465.70 K 2.02 Vapor-liquid equilibria of monoacylglicerol + monoacylglicerol or alcohol or fatty acid at subatmospheric pressures

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [379.58; 955.84] J/mol×K [298.15; 1500.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·((C/T)/sinh(C/T))² + D·((E/T)/cosh(E/T))²
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.63100e+02
Coefficient B8.11370e+02
Coefficient C1.50220e+03
Coefficient D5.88800e+02
Coefficient E7.08000e+02
Temperature range, min.298.15
Temperature range, max.1500.00
Cp,gas 379.58 J/mol×K 298.15 Calculated Property
Cp,gas 521.86 J/mol×K 431.69 Calculated Property
Cp,gas 634.81 J/mol×K 565.23 Calculated Property
Cp,gas 721.13 J/mol×K 698.77 Calculated Property
Cp,gas 787.69 J/mol×K 832.31 Calculated Property
Cp,gas 839.27 J/mol×K 965.84 Calculated Property
Cp,gas 879.44 J/mol×K 1099.38 Calculated Property
Cp,gas 910.95 J/mol×K 1232.92 Calculated Property
Cp,gas 935.89 J/mol×K 1366.46 Calculated Property
Cp,gas 955.84 J/mol×K 1500.00 Calculated Property
Property Value Unit Temperature (K) Source
Cp,liquid [605.97; 789.84] J/mol×K [322.35; 598.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,liquid in J/mol×K, T in K
Coefficient A-2.23060e+03
Coefficient B1.82870e+01
Coefficient C-3.79660e-02
Coefficient D2.64750e-05
Coefficient E0.00000e+00
Temperature range, min.322.35
Temperature range, max.598.00
Cp,liquid 605.97 J/mol×K 322.35 Calculated Property
Cp,liquid 658.33 J/mol×K 352.98 Calculated Property
Cp,liquid 692.06 J/mol×K 383.61 Calculated Property
Cp,liquid 711.72 J/mol×K 414.23 Calculated Property
Cp,liquid 721.87 J/mol×K 444.86 Calculated Property
Cp,liquid 727.09 J/mol×K 475.49 Calculated Property
Cp,liquid 731.93 J/mol×K 506.12 Calculated Property
Cp,liquid 740.96 J/mol×K 536.74 Calculated Property
Cp,liquid 758.74 J/mol×K 567.37 Calculated Property
Cp,liquid 789.84 J/mol×K 598.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0117994; 0.0002293] Pa×s [322.35; 598.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-6.96310e+01
Coefficient B6.19560e+03
Coefficient C7.95950e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.322.35
Temperature range, max.598.00
η 0.0117994 Pa×s 322.35 Calculated Property
η 0.0045850 Pa×s 352.98 Calculated Property
η 0.0021895 Pa×s 383.61 Calculated Property
η 0.0012225 Pa×s 414.23 Calculated Property
η 0.0007702 Pa×s 444.86 Calculated Property
η 0.0005336 Pa×s 475.49 Calculated Property
η 0.0003986 Pa×s 506.12 Calculated Property
η 0.0003164 Pa×s 536.74 Calculated Property
η 0.0002639 Pa×s 567.37 Calculated Property
η 0.0002293 Pa×s 598.00 Calculated Property
Property Value Unit Temperature (K) Source
ΔvapH [102.49; 0.00] kJ/mol [322.35; 768.60] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is ΔvapH in kJ/mol, T in K
Coefficient A1.10640e+02
Coefficient B-1.06250e+00
Coefficient C3.94790e+00
Coefficient D-2.57260e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)7.68600e+02
Temperature range, min.322.35
Temperature range, max.768.60
ΔvapH 102.49 kJ/mol 322.35 Calculated Property
ΔvapH 94.06 kJ/mol 371.93 Calculated Property
ΔvapH 85.19 kJ/mol 421.52 Calculated Property
ΔvapH 76.35 kJ/mol 471.10 Calculated Property
ΔvapH 67.91 kJ/mol 520.68 Calculated Property
ΔvapH 60.10 kJ/mol 570.27 Calculated Property
ΔvapH 53.00 kJ/mol 619.85 Calculated Property
ΔvapH 46.39 kJ/mol 669.43 Calculated Property
ΔvapH 39.12 kJ/mol 719.02 Calculated Property
ΔvapH 0.00 kJ/mol 768.60 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [464.78; 649.14] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.50566e+01
Coefficient B-5.28146e+03
Coefficient C-1.07180e+02
Temperature range, min.464.78
Temperature range, max.649.14
Pvap 1.33 kPa 464.78 Calculated Property
Pvap 2.97 kPa 485.26 Calculated Property
Pvap 6.08 kPa 505.75 Calculated Property
Pvap 11.63 kPa 526.23 Calculated Property
Pvap 20.92 kPa 546.72 Calculated Property
Pvap 35.72 kPa 567.20 Calculated Property
Pvap 58.28 kPa 587.69 Calculated Property
Pvap 91.34 kPa 608.17 Calculated Property
Pvap 138.20 kPa 628.66 Calculated Property
Pvap 202.66 kPa 649.14 Calculated Property
Pvap [5.38e-05; 1463.31] kPa [322.35; 768.60] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is Pvap in kPa, T in K
Coefficient A1.79282e+02
Coefficient B-1.95230e+04
Coefficient C-2.22580e+01
Coefficient D6.31450e-18
Coefficient E6.00000e+00
Temperature range, min.322.35
Temperature range, max.768.60
Pvap 5.38e-05 kPa 322.35 Calculated Property
Pvap 7.22e-03 kPa 371.93 Calculated Property
Pvap 0.22 kPa 421.52 Calculated Property
Pvap 2.49 kPa 471.10 Calculated Property
Pvap 14.68 kPa 520.68 Calculated Property
Pvap 55.31 kPa 570.27 Calculated Property
Pvap 153.97 kPa 619.85 Calculated Property
Pvap 353.16 kPa 669.43 Calculated Property
Pvap 729.12 kPa 719.02 Calculated Property
Pvap 1463.31 kPa 768.60 Calculated Property
Pvap [5.25e-05; 1689.08] kPa [322.35; 761.00] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A3.18319e+02
Coefficient B-2.59164e+04
Coefficient C-4.32052e+01
Coefficient D1.69556e-05
Coefficient E0.00000e+00
Temperature range, min.322.35
Temperature range, max.761.00
Pvap 5.25e-05 kPa 322.35 Calculated Property
Pvap 8.18e-03 kPa 371.09 Calculated Property
Pvap 0.25 kPa 419.83 Calculated Property
Pvap 2.81 kPa 468.57 Calculated Property
Pvap 16.19 kPa 517.31 Calculated Property
Pvap 60.52 kPa 566.04 Calculated Property
Pvap 170.70 kPa 614.78 Calculated Property
Pvap 402.05 kPa 663.52 Calculated Property
Pvap 848.75 kPa 712.26 Calculated Property
Pvap 1689.08 kPa 761.00 Calculated Property
Property Value Unit Temperature (K) Source
ρl [815.79; 224.48] kg/m3 [322.35; 768.60] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A / B^(1 + (1 − T/C)^D)
Y is ρl in kg/m3, T in K
Coefficient A5.00253e+01
Coefficient B2.22850e-01
Coefficient C7.68600e+02
Coefficient D2.78410e-01
Temperature range, min.322.35
Temperature range, max.768.60
ρl 815.79 kg/m3 322.35 Calculated Property
ρl 782.53 kg/m3 371.93 Calculated Property
ρl 747.67 kg/m3 421.52 Calculated Property
ρl 710.82 kg/m3 471.10 Calculated Property
ρl 671.40 kg/m3 520.68 Calculated Property
ρl 628.53 kg/m3 570.27 Calculated Property
ρl 580.64 kg/m3 619.85 Calculated Property
ρl 524.62 kg/m3 669.43 Calculated Property
ρl 452.01 kg/m3 719.02 Calculated Property
ρl 224.48 kg/m3 768.60 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 0.00] N/m [322.35; 768.60] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc
Y is γ in N/m, T in K
Coefficient A5.89810e-02
Coefficient B1.31380e+00
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Critical temperature, Tc (K)7.68600e+02
Temperature range, min.322.35
Temperature range, max.768.60
γ 0.03 N/m 322.35 Calculated Property
γ 0.02 N/m 371.93 Calculated Property
γ 0.02 N/m 421.52 Calculated Property
γ 0.02 N/m 471.10 Calculated Property
γ 0.01 N/m 520.68 Calculated Property
γ 0.01 N/m 570.27 Calculated Property
γ 0.01 N/m 619.85 Calculated Property
γ 0.00 N/m 669.43 Calculated Property
γ 0.00 N/m 719.02 Calculated Property
γ 0.00 N/m 768.60 Calculated Property
Property Value Unit Temperature (K) Source
λgas [0.03; 0.08] W/m×K [598.00; 1000.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A·T^B / (1 + C/T + D/T²)
Y is λgas in W/m×K, T in K
Coefficient A-1.49400e+00
Coefficient B-1.16870e-03
Coefficient C-2.43610e+03
Coefficient D-1.81540e+07
Temperature range, min.598.00
Temperature range, max.1000.00
λgas 0.03 W/m×K 598.00 Calculated Property
λgas 0.03 W/m×K 642.67 Calculated Property
λgas 0.04 W/m×K 687.33 Calculated Property
λgas 0.04 W/m×K 732.00 Calculated Property
λgas 0.05 W/m×K 776.67 Calculated Property
λgas 0.05 W/m×K 821.33 Calculated Property
λgas 0.06 W/m×K 866.00 Calculated Property
λgas 0.06 W/m×K 910.67 Calculated Property
λgas 0.07 W/m×K 955.33 Calculated Property
λgas 0.08 W/m×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
λliquid [0.14; 0.07] W/m×K [322.35; 598.00] ChemSep v8.3 pure component data Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is λliquid in W/m×K, T in K
Coefficient A2.20810e-01
Coefficient B-2.50000e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.322.35
Temperature range, max.598.00
λliquid 0.14 W/m×K 322.35 Calculated Property
λliquid 0.13 W/m×K 352.98 Calculated Property
λliquid 0.12 W/m×K 383.61 Calculated Property
λliquid 0.12 W/m×K 414.23 Calculated Property
λliquid 0.11 W/m×K 444.86 Calculated Property
λliquid 0.10 W/m×K 475.49 Calculated Property
λliquid 0.09 W/m×K 506.12 Calculated Property
λliquid 0.09 W/m×K 536.74 Calculated Property
λliquid 0.08 W/m×K 567.37 Calculated Property
λliquid 0.07 W/m×K 598.00 Calculated Property

Similar Compounds

1-Eicosanol. 1-Octadecanol. 1-Hexacosanol. 1-Decanol. 1-Undecanol. 1-Heptacosanol. 1-Hentetracontanol. 1-Tetracosanol. n-Heptadecanol-1. Octacosanol. 1-Octanol. 1-Nonanol. n-Nonadecanol-1. 1-Tetradecanol. 1-Heneicosanol.

Find more compounds similar to 1-Hexadecanol.

Mixtures

Sources

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