Butane, 1,1-dichloro-3-methyl-

• Formula: C₅H₁₀Cl₂
• Molecular weight: 141.039
• IUPAC Standard InChI: InChI=1S/C5H10Cl2/c1-4(2)3-5(6)7/h4-5H,3H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: VXEMJASOVHTHLL-UHFFFAOYSA-N Copy
• CAS Registry Number: 625-66-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: 1,1-Dichloro-3-methylbutane
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Phase change data
  • Reaction thermochemistry data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change data

Go To: Top, Reaction thermochemistry data, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Reaction thermochemistry data

Go To: Top, Phase change data, 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

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

=  + 

By formula: C₅H₁₀Cl₂ = C₅H₉Cl + HCl

=

By formula: C₅H₁₀Cl₂ = C₅H₉Cl

Mass spectrum (electron ionization)

Go To: Top, Phase change data, Reaction thermochemistry data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

References

Go To: Top, Phase change data, Reaction thermochemistry 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.

Pomerantz, Fookson, et al., 1954
Pomerantz, P.; Fookson, A.; Mears, T.W.; Rothberg, S.; Howard, F.L., Synthesis and Physical Properties of Several Acetylenic Hydrocarbons, J. Res. Natl. Bur. Stand. (U. S.), 1954, 52, 51. [all data]

Schmerling, 1949
Schmerling, L., , 1949. [all data]

Schmerling, 1946
Schmerling, L., Condensation of Saturated Halides with Unsaturated Compounds II. The Condensation of ALkyl Halides with Monohaloolefins, J. Am. Chem. Soc., 1946, 68, 1650-4. [all data]

Kohlraush and Koppl, 1935
Kohlraush, K.W.F.; Koppl, F., The Raman effect. XXXVIII. Raman spectra of organic substances. S. Isomeric paraffin derivatives., Monatsh. Chem., 1935, 65, 185. [all data]

Meged, Levanova, et al., 1978
Meged, V.M.; Levanova, S.V.; Shevtsova, L.A.; Rozhnev, A.M., Dehydrochlorination of 1,1-dichloro-3-methylbutane and geometric isomerization of chloromethylbutenes, Russ. J. Phys. Chem. (Engl. Transl.), 1978, 52, 285. [all data]

Notes

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

• Symbols used in this document:
  

  Tboil	Boiling point
  ΔrH°	Enthalpy of reaction 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.
• Customer support for NIST Standard Reference Data products.