1-Propanol

• Formula: C₃H₈O
• Molecular weight: 60.0950
• IUPAC Standard InChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 Copy

  
• IUPAC Standard InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N Copy
• CAS Registry Number: 71-23-8
• 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: Propyl alcohol; n-Propan-1-ol; n-Propanol; n-Propyl alcohol; Ethylcarbinol; Optal; Osmosol extra; Propanol; Propylic alcohol; 1-Propyl alcohol; n-C3H7OH; 1-Hydroxypropane; Propanol-1; Propan-1-ol; n-Propyl alkohol; Alcool propilico; Alcool propylique; Propanole; Propanolen; Propanoli; Propylowy alkohol; UN 1274; Propylan-propyl alcohol; NSC 30300; Alcohol, propyl
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Reaction thermochemistry data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
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Reaction thermochemistry data

Go To: Top, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

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

C₃H₉O⁺ +  = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₃H₈O = (C₃H₉O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

C₂H₇O⁺ +  = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₃H₈O = (C₂H₇O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

C₄H₁₁O⁺ +  = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₃H₈O = (C₄H₁₁O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

C₃H₇O^- +  =

By formula: C₃H₇O^- + H⁺ = C₃H₈O

C₄H₉O^- +  = (C₄H₉O^- • )

By formula: C₄H₉O^- + C₃H₈O = (C₄H₉O^- • C₃H₈O)

C₈H₅^- +  = (C₈H₅^- • )

By formula: C₈H₅^- + C₃H₈O = (C₈H₅^- • C₃H₈O)

C₃H₇O^- +  = (C₃H₇O^- • )

By formula: C₃H₇O^- + C₃H₈O = (C₃H₇O^- • C₃H₈O)

 +  = ( • )

By formula: Cl^- + C₃H₈O = (Cl^- • C₃H₈O)

C₃H₅O⁺ +  = (C₃H₅O⁺ • )

By formula: C₃H₅O⁺ + C₃H₈O = (C₃H₅O⁺ • C₃H₈O)

C₃H₉Si⁺ +  = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₃H₈O = (C₃H₉Si⁺ • C₃H₈O)

Free energy of reaction

C₃H₉Sn⁺ +  = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + C₃H₈O = (C₃H₉Sn⁺ • C₃H₈O)

Free energy of reaction

C₅H₁₁O^- +  = (C₅H₁₁O^- • )

By formula: C₅H₁₁O^- + C₃H₈O = (C₅H₁₁O^- • C₃H₈O)

C₃H₅O^- +  = (C₃H₅O^- • )

By formula: C₃H₅O^- + C₃H₈O = (C₃H₅O^- • C₃H₈O)

(C₃H₉O⁺ • 7) +  = (C₃H₉O⁺ • 8)

By formula: (C₃H₉O⁺ • 7C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 8C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Free energy of reaction

( • 7) +  = ( • 8)

By formula: (Cl^- • 7C₃H₈O) + C₃H₈O = (Cl^- • 8C₃H₈O)

 +  = ( • )

By formula: F^- + C₃H₈O = (F^- • C₃H₈O)

(C₃H₉O⁺ • 2) +  = (C₃H₉O⁺ • 3)

By formula: (C₃H₉O⁺ • 2C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 3C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

(C₃H₉O⁺ • 3) +  = (C₃H₉O⁺ • 4)

By formula: (C₃H₉O⁺ • 3C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 4C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

(C₃H₉O⁺ • ) +  = (C₃H₉O⁺ • 2)

By formula: (C₃H₉O⁺ • C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 2C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

 +  =

By formula: C₃H₆O + H₂ = C₃H₈O

( • 2) +  = ( • 3)

By formula: (Cl^- • 2C₃H₈O) + C₃H₈O = (Cl^- • 3C₃H₈O)

( • 3) +  = ( • 4)

By formula: (Cl^- • 3C₃H₈O) + C₃H₈O = (Cl^- • 4C₃H₈O)

( • 4) +  = ( • 5)

By formula: (Cl^- • 4C₃H₈O) + C₃H₈O = (Cl^- • 5C₃H₈O)

( • 5) +  = ( • 6)

By formula: (Cl^- • 5C₃H₈O) + C₃H₈O = (Cl^- • 6C₃H₈O)

( • 6) +  = ( • 7)

By formula: (Cl^- • 6C₃H₈O) + C₃H₈O = (Cl^- • 7C₃H₈O)

( • ) +  = ( • 2)

By formula: (Cl^- • C₃H₈O) + C₃H₈O = (Cl^- • 2C₃H₈O)

(C₃H₉O⁺ • 4) +  = (C₃H₉O⁺ • 5)

By formula: (C₃H₉O⁺ • 4C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 5C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

(C₃H₉O⁺ • 5) +  = (C₃H₉O⁺ • 6)

By formula: (C₃H₉O⁺ • 5C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 6C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

(C₃H₉O⁺ • 6) +  = (C₃H₉O⁺ • 7)

By formula: (C₃H₉O⁺ • 6C₃H₈O) + C₃H₈O = (C₃H₉O⁺ • 7C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₃H₈O = (CH₆N⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type NH+-O between organics

 +  = ( • )

By formula: Na⁺ + C₃H₈O = (Na⁺ • C₃H₈O)

Free energy of reaction

 +  =

By formula: C₃H₆O + H₂ = C₃H₈O

 +  = ( • )

By formula: C₆H₅S^- + C₃H₈O = (C₆H₅S^- • C₃H₈O)

 +  = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

 +  = ( • )

By formula: Mg⁺ + C₃H₈O = (Mg⁺ • C₃H₈O)

 +  =  + 

By formula: C₁₀H₁₂O₅ + H₂O = C₇H₆O₅ + C₃H₈O

 +  = C₅H₈Cl₂F₂O

By formula: C₃H₈O + C₂Cl₂F₂ = C₅H₈Cl₂F₂O

 +  =  + 

By formula: C₃H₈O + HNO₃ = C₃H₇NO₃ + H₂O

 +  =

By formula: C₂H₂O + C₃H₈O = C₅H₁₀O₂

 +  = ( • )

By formula: Li⁺ + C₃H₈O = (Li⁺ • C₃H₈O)

 +  =

By formula: C₄H₂O₃ + C₃H₈O = propyl hydrogen maleate

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Deakyne, Meot-Ner (Mautner), et al., 1986
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Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

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Ellison, Engleking, et al., 1982
Ellison, G.B.; Engleking, P.C.; Lineberger, W.C., Photoelectron spectroscopy of alkoxide and enolate negative ions, J. Phys. Chem., 1982, 86, 4873. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Caldwell, Rozeboom, et al., 1984
Caldwell, G.; Rozeboom, M.D.; Kiplinger, J.P.; Bartmess, J.E., Anion-alcohol hydrogen bond strengths in the gas phase, J. Am. Chem. Soc., 1984, 106, 4660. [all data]

Paul and Kebarle, 1990
Paul, G.J.C.; Kebarle, P., Thermodynamics of the Association Reactions OH- - H2O = HOHOH- and CH3O- - CH3OH = CH3OHOCH3- in the Gas Phase, J. Phys. Chem., 1990, 94, 12, 5184, https://doi.org/10.1021/j100375a076 . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Meot-Ner(Mautner), 1986
Meot-Ner(Mautner), M., Comparative Stabilities of Cationic and Anionic Hydrogen-Bonded Networks. Mixed Clusters of Water-Methanol, J. Am. Chem. Soc., 1986, 108, 20, 6189, https://doi.org/10.1021/ja00280a014 . [all data]

Hiraoka, 1987
Hiraoka, K., Relation Between Gas Phase Stepwise and Bulk Solvation of Cl^- with Water and Aliphatic Alcohols, Bull. Chem. Soc. Japan, 1987, 60, 7, 2555, https://doi.org/10.1246/bcsj.60.2555 . [all data]

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Notes

Go To: Top, Reaction thermochemistry data, References

• Symbols used in this document:
  

  T	Temperature
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions

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