Ethanol

• Formula: C₂H₆O
• Molecular weight: 46.0684
• IUPAC Standard InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 Copy

  
• IUPAC Standard InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 64-17-5
• 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.
• Isotopologues:
  • [2H6]ethanol
  • Ethanol-d1
  • C2H3D3O
  • Ethanol-d5
  • Ethanol-1,1-d2
• Other names: Ethyl alcohol; Alcohol; Alcohol anhydrous; Algrain; Anhydrol; Denatured ethanol; Ethyl hydrate; Ethyl hydroxide; Jaysol; Jaysol S; Methylcarbinol; SD Alchol 23-hydrogen; Tecsol; C2H5OH; Absolute ethanol; Cologne spirit; Fermentation alcohol; Grain alcohol; Molasses alcohol; Potato alcohol; Aethanol; Aethylalkohol; Alcohol, dehydrated; Alcool ethylique; Alcool etilico; Alkohol; Cologne spirits; Denatured alcohol CD-10; Denatured alcohol CD-5; Denatured alcohol CD-5a; Denatured alcohol SD-1; Denatured alcohol SD-13a; Denatured alcohol SD-17; Denatured alcohol SD-23a; Denatured alcohol SD-28; Denatured alcohol SD-3a; Denatured alcohol SD-30; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Etanolo; Ethanol 200 proof; Ethyl alc; Etylowy alkohol; EtOH; NCI-C03134; Spirits of wine; Spirt; Alkoholu etylowego; Ethyl alcohol anhydrous; SD alcohol 23-hydrogen; UN 1170; Tecsol C; Alcare Hand Degermer; Absolute alcohol; Denatured alcohol; Ethanol, silent spirit; Ethylol; Punctilious ethyl alcohol; SD 3A
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Ion clustering data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 77
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Enthalpy of vaporization

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
    Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
    T_r = reduced temperature (T / T_c)

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Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Enthalpy of fusion

Entropy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₂H₆O⁺ (ion structure unspecified)

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₂H₅O^- +  =

By formula: C₂H₅O^- + H⁺ = C₂H₆O

Anion protonation reactions

C₂H₅O^- +  =

By formula: C₂H₅O^- + H⁺ = C₂H₆O

Ion clustering 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

 +  = C₂H₆BrO^-

By formula: Br^- + C₂H₆O = C₂H₆BrO^-

 + 2 = C₄H₁₂BrO₂^-

By formula: Br^- + 2C₂H₆O = C₄H₁₂BrO₂^-

 + 3 = C₆H₁₈BrO₃^-

By formula: Br^- + 3C₂H₆O = C₆H₁₈BrO₃^-

CH₆N⁺ +  = (CH₆N⁺ • )

By formula: CH₆N⁺ + C₂H₆O = (CH₆N⁺ • C₂H₆O)

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

Free energy of reaction

CN^- +  = (CN^- • )

By formula: CN^- + C₂H₆O = (CN^- • C₂H₆O)

 +  = ( • )

By formula: C₂H₃O₂^- + C₂H₆O = (C₂H₃O₂^- • C₂H₆O)

C₂H₄NO₂^- +  = C₄H₁₀NO₃^-

By formula: C₂H₄NO₂^- + C₂H₆O = C₄H₁₀NO₃^-

C₂H₅O⁺ +  = (C₂H₅O⁺ • )

By formula: C₂H₅O⁺ + C₂H₆O = (C₂H₅O⁺ • C₂H₆O)

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

C₂H₅O^- +  = (C₂H₅O^- • )

By formula: C₂H₅O^- + C₂H₆O = (C₂H₅O^- • C₂H₆O)

C₂H₆FO^- + 2 = C₄H₁₂FO₂^-

By formula: C₂H₆FO^- + 2C₂H₆O = C₄H₁₂FO₂^-

C₂H₇O⁺ +  = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₂H₆O = (C₂H₇O⁺ • C₂H₆O)

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

C₃H₇O^- +  = (C₃H₇O^- • )

By formula: C₃H₇O^- + C₂H₆O = (C₃H₇O^- • C₂H₆O)

C₃H₉O⁺ +  = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₂H₆O = (C₃H₉O⁺ • C₂H₆O)

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

C₃H₉O⁺ +  = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₂H₆O = (C₃H₉O⁺ • C₂H₆O)

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

C₃H₉Si⁺ +  = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₂H₆O = (C₃H₉Si⁺ • C₂H₆O)

Free energy of reaction

C₃H₉Sn⁺ +  = (C₃H₉Sn⁺ • )

By formula: C₃H₉Sn⁺ + C₂H₆O = (C₃H₉Sn⁺ • C₂H₆O)

Free energy of reaction

C₄H₉O^- +  = (C₄H₉O^- • )

By formula: C₄H₉O^- + C₂H₆O = (C₄H₉O^- • C₂H₆O)

C₄H₁₂FO₂^- + 3 = C₆H₁₈FO₃^-

By formula: C₄H₁₂FO₂^- + 3C₂H₆O = C₆H₁₈FO₃^-

C₅H₁₁O^- +  = (C₅H₁₁O^- • )

By formula: C₅H₁₁O^- + C₂H₆O = (C₅H₁₁O^- • C₂H₆O)

 +  = ( • )

By formula: C₆H₅O^- + C₂H₆O = (C₆H₅O^- • C₂H₆O)

 +  = C₈H₁₁O₂^-

By formula: C₆H₅O^- + C₂H₆O = C₈H₁₁O₂^-

 +  = ( • )

By formula: Cl^- + C₂H₆O = (Cl^- • C₂H₆O)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (Cl^- • C₂H₆O) + C₂H₆O = (Cl^- • 2C₂H₆O)

( • 2) +  = ( • 3)

By formula: (Cl^- • 2C₂H₆O) + C₂H₆O = (Cl^- • 3C₂H₆O)

( • 3) +  = ( • 4)

By formula: (Cl^- • 3C₂H₆O) + C₂H₆O = (Cl^- • 4C₂H₆O)

( • 4) +  = ( • 5)

By formula: (Cl^- • 4C₂H₆O) + C₂H₆O = (Cl^- • 5C₂H₆O)

( • 5) +  = ( • 6)

By formula: (Cl^- • 5C₂H₆O) + C₂H₆O = (Cl^- • 6C₂H₆O)

( • 6) +  = ( • 7)

By formula: (Cl^- • 6C₂H₆O) + C₂H₆O = (Cl^- • 7C₂H₆O)

( • 7) +  = ( • 8)

By formula: (Cl^- • 7C₂H₆O) + C₂H₆O = (Cl^- • 8C₂H₆O)

( • 8) +  = ( • 9)

By formula: (Cl^- • 8C₂H₆O) + C₂H₆O = (Cl^- • 9C₂H₆O)

( • 9) +  = ( • 10)

By formula: (Cl^- • 9C₂H₆O) + C₂H₆O = (Cl^- • 10C₂H₆O)

 +  = C₂H₅D₆FO^-

By formula: F^- + C₂H₆O = C₂H₅D₆FO^-

 +  = ( • )

By formula: F^- + C₂H₆O = (F^- • C₂H₆O)

HS^- +  = (HS^- • )

By formula: HS^- + C₂H₆O = (HS^- • C₂H₆O)

 +  = ( • )

By formula: I^- + C₂H₆O = (I^- • C₂H₆O)

 + 2 = C₄H₁₂IO₂^-

By formula: I^- + 2C₂H₆O = C₄H₁₂IO₂^-

 + 3 = C₆H₁₈IO₃^-

By formula: I^- + 3C₂H₆O = C₆H₁₈IO₃^-

 +  = ( • )

By formula: Li⁺ + C₂H₆O = (Li⁺ • C₂H₆O)

 +  = ( • )

By formula: Mg⁺ + C₂H₆O = (Mg⁺ • C₂H₆O)

 +  = ( • )

By formula: Na⁺ + C₂H₆O = (Na⁺ • C₂H₆O)

Free energy of reaction

( • ) +  = ( • 2)

By formula: (Na⁺ • C₂H₆O) + C₂H₆O = (Na⁺ • 2C₂H₆O)

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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

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Additional Data

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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.

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Pedersen, M.J.; Kay, W.B.; Hershey, H.C., Excess enthalpies, heat capacities, and excess heat capacities as a function of temperature in liquid mixtures of ethanol + toluene, ethanol + hexamethyldisiloxane, and hexamethyldisiloxane + toluene, J. Chem. Thermodynam., 1975, 7, 1107-1118. [all data]

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