Propylene Glycol

• Formula: C₃H₈O₂
• Molecular weight: 76.0944
• IUPAC Standard InChI: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 Copy

  
• IUPAC Standard InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N Copy
• CAS Registry Number: 57-55-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Polyglycol p-750 (dow)
  • Propylene Glycol
• Stereoisomers:
  • R-(-)-1,2-propanediol
  • (S)-(+)-1,2-Propanediol
• Other names: 1,2-Propanediol; α-Propylene glycol; Methylethyl glycol; Methylethylene glycol; Monopropylene glycol; PG 12; Sirlene; 1,2-Dihydroxypropane; 1,2-Propylene glycol; 2-Hydroxypropanol; 2,3-Propanediol; Propane-1,2-diol; Dowfrost; Propylene glycol USP; 1,2-Propylenglykol; Solar winter ban; Sentry Propylene Glycol; Isopropylene glycol; Ucar 35; Solargard P; Ilexan P; Prolugen; Trimethyl glycol; 1,2-Propandiol; Propylenglycol; (RS)-1,2-Propanediol; (.+/-.)-1,2-Propanediol; DL-1,2-Propanediol; NSC 69860; DL-Propylene glycol; propylene glycol (1,2-propanediol); 1,2-propanediol (propylene glycol); propanediol; Methyl glycol
• Information on this page:
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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Reaction thermochemistry data

Go To: Top, Henry's Law data, Gas phase ion energetics 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: C₃H₈O₂ + C₃H₆O = C₆H₁₂O₂ + H₂O

 + 2 =  + 

By formula: C₄H₆O₃ + 2CH₄O = C₃H₈O₂ + C₃H₆O₃

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

Gas phase ion energetics 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Appearance energy determinations

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, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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.

Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y., NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols, Bull. Soc. Chim. Belg., 1970, 79, 523-530. [all data]

Zhang and Luo, 1991
Zhang, S.; Luo, Y., Kinetics and technological conditions for the synthesis of dimethyl carbonate, Chem. React. Eng. Tech., 1991, 7, 10-19. [all data]

Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P., Heats of formation of organic radicals from appearance energies, Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [C_nH_2n+1]⁺ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Notes

Go To: Top, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  AE	Appearance energy
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔrH°	Enthalpy of reaction at standard conditions

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