2-Butanol, 2-methyl-, acetate

• Formula: C₇H₁₄O₂
• Molecular weight: 130.1849
• IUPAC Standard InChI: InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3 Copy

  
• IUPAC Standard InChIKey: JCCIFDCPHCKATH-UHFFFAOYSA-N Copy
• CAS Registry Number: 625-16-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: tert-Pentyl Alcohol, acetate; tert-Pentyl Acetate; CH3C(O)OC(CH3)2CH2CH3; Acetic acid, 1,1-dimethylpropyl ester; 1,1-Dimethylpropyl acetate; tert-Amyl acetate; tert-Amyl ethanoate
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Enthalpy of vaporization

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, Gas phase thermochemistry data, Phase change data, 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.

Verevkin, Beckhaus, et al., 1996
Verevkin, S.P.; Beckhaus, H.-D.; Belen'kaja, R.S.; Rakus, K.; Ruchardt, C., Geminal substituent effects Part 9. Standard enthalpies of formation and strain free increments of branched esters and ethers, Thermochim. Acta, 1996, 279, 47-64. [all data]

Mazdiyasni, Lynch, et al., 1966
Mazdiyasni, K.S.; Lynch, C.T.; Smith, J.S., High Purity Tertiary-Amyl Acetate. Synthesis and Properties, J. Chem. Eng. Data, 1966, 11, 277. [all data]

Young and Webb, 1951
Young, W.G.; Webb, I.D., J. Am. Chem. Soc., 1951, 73, 780. [all data]

Munch, 1926
Munch, J.C., The Refractometric Determination of Alcohols and Esters in Aqueous and in Cottonseed Oil Solutions, J. Am. Chem. Soc., 1926, 48, 994-1003. [all data]

Verevkin and Emel'yanenko, 2008
Verevkin, Sergey P.; Emel'yanenko, Vladimir N., Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters, Fluid Phase Equilibria, 2008, 266, 1-2, 64-75, https://doi.org/10.1016/j.fluid.2008.02.001 . [all data]

Matos, Miranda, et al., 2000
Matos, M.A.R.; Miranda, M.S.; Morais, V.M.F., Calorimetric and Theoretical Determination of Standard Enthalpies of Formation of Dimethoxy- and Trimethoxybenzene Isomers, J. Phys. Chem. A, 2000, 104, 40, 9260-9265, https://doi.org/10.1021/jp001928g . [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions

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