1-Hexadecanol

• Formula: C₁₆H₃₄O
• Molecular weight: 242.4406
• IUPAC Standard 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 Copy

  
• IUPAC Standard InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N Copy
• CAS Registry Number: 36653-82-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: n-Cetyl alcohol; n-Hexadecan-1-ol; n-Hexadecanol; n-1-Hexadecanol; Adol 52; Adol 52 NF; Adol 54; Aldol 54; Alfol 16; Atalco C; Cachalot C-51; Cachalot C-52; Cetaffine; Cetal; Cetalol CA; Cetanol; Cetylic alcohol; Cetylol; Crodacol C; Crodacol-CAS; Crodacol-CAT; Elfacos C; Ethal; Ethol; Hexadecanol; Hexadecyl alcohol; Hyfatol 16; Lanol C; Lorol 24; Loxanol K; Loxanol K extra; Loxanwachs SK; Palmityl alcohol; Product 308; Siponol wax-A; Siponol CC; 1-Hexadecyl alcohol; Alcohol c-16; Hexadecan-1-ol; n-Hexadecyl alcohol; 1-Hydroxyhexadecane; Adol 520; Cachalot C-50; CO-1670; CO-1695; Dytol F-11; Cachalot C-50 NF; Cetyl alcohol NF; Crodacol C70; Crodacol C95 NF; Epal 16NF; Fancol CA; Lanette 16; Lipocol C; Lorol C16; LorolL 24; Philcohol 1600; Rita CA; Cetyl alcohol; 1-Hexanedecanol; 1-Cetanol; Epal 16; Hyfatol 16-95; Laurex 16; Alfol 16RD; Kalcol 6098; Palmitic alcohol; 19141-82-3; SSD; SSD RP; 8023-37-8; 124-29-8; 8032-16-4; 8032-89-1; 8032-17-5; SSD (Salt/Mix); SSD RP (Salt/Mix)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Constant pressure heat capacity of liquid

Constant pressure heat capacity of solid

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Reduced pressure boiling point

Enthalpy of vaporization

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

 +  = C₁₆H₃₄O₄S + 

By formula: C₁₆H₃₄O + ClHO₃S = C₁₆H₃₄O₄S + HCl

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• SOLID (0.89% IN KBr DISC) $$ PURITY - 99% (APPLIED SCIENCE LABORATORY, INC.); PERKIN-ELMER 421 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas; HP-GC/MS/IRD

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Kovats' RI, polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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Van Den Dool and Kratz RI, polar column, temperature ramp

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Van Den Dool and Kratz RI, polar column, custom temperature program

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Normal alkane RI, non-polar column, temperature ramp

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Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, temperature ramp

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Normal alkane RI, polar column, custom temperature program

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Lee's RI, non-polar column, temperature ramp

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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Dregus and Engel, 2003
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Miyazawa, Maehara, et al., 2002
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Umano, Hagi, et al., 2000
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Tümen, Baser, et al., 1998
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Baser, Kirimer, et al., 1997
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Akin, Saracoglu, et al., 2012
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Notes

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• Symbols used in this document:
  

  Cp,liquid	Constant pressure heat capacity of liquid
  Cp,solid	Constant pressure heat capacity of solid
  S°gas	Entropy of gas at standard conditions
  S°solid,1 bar	Entropy of solid at standard conditions (1 bar)
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
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