Propane, 2-methyl-2-(1-methylethoxy)-

• Formula: C₇H₁₆O
• Molecular weight: 116.2013
• IUPAC Standard InChI: InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3 Copy

  
• IUPAC Standard InChIKey: HNFSPSWQNZVCTB-UHFFFAOYSA-N Copy
• CAS Registry Number: 17348-59-3
• 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: Ether, tert-butyl isopropyl; tert-Butyl isopropyl ether; Isopropyl tert-butyl ether; 2-Methyl-2-(1-methylethoxy)propane; (i-C3H7)O(t-C4H9); 2-isopropoxy-2-methylpropane
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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:
BS - Robert L. Brown and Stephen E. Stein
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

Enthalpy of vaporization

Enthalpy of fusion

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, 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.

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Olson, Hipsher, et al., 1947
Olson, W.T.; Hipsher, H.F.; Buess, C.M.; Goodman, I.A.; Hart, I.; Lamneck, J.H.; Gibbons, L.C., The Synthesis and Purification of Ethers, J. Am. Chem. Soc., 1947, 69, 2451-4. [all data]

Norris and Rigby, 1932
Norris, J.F.; Rigby, G.W., Reactivity of Atoms and Groups in Organic Compounds XII. The Preparation and Properties of Mixed Aliphatic Ethers with Special Reference to those Containing the Tert-Butyl Radical, J. Am. Chem. Soc., 1932, 54, 2088. [all data]

Verevkin, Krasnykh, et al., 2003
Verevkin, Sergey P.; Krasnykh, Eugen L.; Vasiltsova, Tatiana V.; Heintz, Andreas, Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers, J. Chem. Eng. Data, 2003, 48, 3, 591-599, https://doi.org/10.1021/je0255980 . [all data]

Verevkin, 2002
Verevkin, Sergey P., Improved Benson Increments for the Estimation of Standard Enthalpies of Formation and Enthalpies of Vaporization of Alkyl Ethers, Acetals, Ketals, and Ortho Esters, J. Chem. Eng. Data, 2002, 47, 5, 1071-1097, https://doi.org/10.1021/je020023o . [all data]

Varushchenko, Pashchenko, et al., 2002
Varushchenko, R.M.; Pashchenko, L.L.; Druzhinina, A.I.; Churkina, A.Yu.; Vorob'ev, I.I.; Kravchun, S.N., Zh. Fiz. Khim., 2002, 76, 4, 632. [all data]

Dorofeeva, Yungman, et al., 2004
Dorofeeva, O.V.; Yungman, V.S.; Varushchenko, R.M.; Druzhinina, A.I., Ideal Gas Thermodynamic Properties of Propyl tert-Butyl Ethers from Density Functional Theory Results Combined with Experimental Data, International Journal of Thermophysics, 2004, 25, 4, 1097-1113, https://doi.org/10.1023/B:IJOT.0000038503.77644.a4 . [all data]

Smutny and Bondi, 1961
Smutny, E.J.; Bondi, A., Di-t-butyl ether: Strain energy and physical properties, J. Phys. Chem., 1961, 65, 546-550. [all data]

Kraehenbuehl and Gmehling, 1994
Kraehenbuehl, M.A.; Gmehling, J., Vapor Pressures of Methyl tert-Butyl Ether, Ethyl tert-Butyl Ether, Isopropyl tert-Butyl Ether, tert-Amyl Methyl Ether, and tert-Amyl Ethyl Ether, J. Chem. Eng. Data, 1994, 39, 4, 759-762, https://doi.org/10.1021/je00016a026 . [all data]

Varushchenko, Druzhinina, et al., 2001
Varushchenko, R.M.; Druzhinina, A.I.; Churkina, A.Yu.; Zhi, C.-T., Zh. Fiz. Khim., 2001, 75, 8, 1351. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  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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