Barbital

• Formula: C₈H₁₂N₂O₃
• Molecular weight: 184.1925
• IUPAC Standard InChI: InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) Copy

  
• IUPAC Standard InChIKey: FTOAOBMCPZCFFF-UHFFFAOYSA-N Copy
• CAS Registry Number: 57-44-3
• 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: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-; Barbituric acid, 5,5-diethyl-; Barbitone; Deba; Diemal; Diethylbarbitone; Diethylbarbituric acid; Diethylmalonylurea; Dormonal; Ethylbarbital; Hypnogene; Malonal; Sedeval; Uronal; Veroletten; Veronal; Vesperal; 5,5-Diethylbarbituric acid; Verolettin; Kyselina 5,5-diethylbarbiturova; 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione; NSC 31352; Metharbital M (nor)
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • UV/Visible spectrum
  • Gas Chromatography
• 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.

Condensed phase 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

Phase change data

Go To: Top, Condensed phase 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

Mass spectrum (electron ionization)

Go To: Top, Condensed phase thermochemistry data, Phase change 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, Condensed 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.

Fischer and Wrede, 1904
Fischer, E.; Wrede, F., Uber die Verbrennungswarme einiger organischer Verbindungen, Sitzungsber. Dtsch. Akad. Wiss. Berlin Kl. Math. Phys. Tech., 1904, 687-715. [all data]

Lemoult, 1904
Lemoult, M.P., Remarques sur une serie recenie de determinations calorimetriques, Compt. Rend., 1904, 663-635. [all data]

Kuffner, Bush, et al., 1957
Kuffner, R.J.; Bush, M.T.; Bircher, L.J., Studies on the surface tension of aqueous barbituric acid solutions, J. Am. Chem. Soc., 1957, 79, 1587-1589. [all data]

Ribeiro da Silva, Ribeiro da Silva, et al., 2009
Ribeiro da Silva, Maria das Dores M.C.; Ribeiro da Silva, Manuel A.V.; Freitas, Vera L.S.; Roux, Maria Victoria; Jiménez, Pilar; Temprado, Manuel; Dávalos, Juan Z.; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José, Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital, The Journal of Chemical Thermodynamics, 2009, 41, 12, 1400-1407, https://doi.org/10.1016/j.jct.2009.06.018 . [all data]

Chauvet, De Maury, et al., 1986
Chauvet, A.; De Maury, G.; Terol, A.; Masse, J., Etude thermoanalytique de substances psychotropes, Thermochimica Acta, 1986, 97, 143-159, https://doi.org/10.1016/0040-6031(86)87015-0 . [all data]

Notes

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

• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation 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.