Octadecanoic acid, butyl ester

• Formula: C₂₂H₄₄O₂
• Molecular weight: 340.5836
• IUPAC Standard InChI: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: ULBTUVJTXULMLP-UHFFFAOYSA-N Copy
• CAS Registry Number: 123-95-5
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: Stearic acid, butyl ester; n-Butyl octadecanoate; n-Butyl stearate; Apex 4; Butyl octadecanoate; Butyl stearate; Emerest 2325; Groco 5810; Kessco BSC; Kesscoflex BS; Polycizer 332; RC Plasticizer B-17; Starfol BS-100; Tegester butyl stearate; Wickenol 122; Witcizer 200; Witcizer 201; BS; Uniflex bys; ADK STAB LS-8; Kemester 5510; Kessco BS; Oleo-Coll LP; Oleoyl sarcosine; Priolube 1451; Radia 7051; Uniflex BYS-tech; Unimate BYS; Witconol 2326; NSC 4820
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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Condensed phase thermochemistry data

Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

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
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Enthalpy of vaporization

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

• SOLUTION (10% CCl4 FOR 2.7-7.5, 10% CS2 FOR 7.5-26 MICRON) VS SOLVENT; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

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

• gas

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

References

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

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

Handrick, 1956
Handrick, G.R., Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]

Kalinowska and Jackowski, 1986
Kalinowska, B.; Jackowski, A.W., Enthalpies of two phase transitions in the high-temperature form of n-butyl octadecanoate, J. Chem. Thermodyn., 1986, 18, 8, 715, https://doi.org/10.1016/0021-9614(86)90104-7 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Perry and Weber, 1949
Perry, E.S.; Weber, W.H., Vapor Pressures of Phlegmatic Liquids. II. High Molecular Weight Esters and Silicone Oils, J. Am. Chem. Soc., 1949, 71, 11, 3726-3730, https://doi.org/10.1021/ja01179a039 . [all data]

Kalinowska and Jackowski, 1986, 2
Kalinowska, B.; Jackowski, A.W., Enthalpies of two phase transitions in the high-temperature form of n-butyl octadecanoate, J. Chem. Thermodynam., 1986, 18, 715-717. [all data]

Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Ttriple	Triple point temperature
  ΔHtrs	Enthalpy of phase transition
  ΔStrs	Entropy of phase transition
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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