Isopropyl Alcohol

• Formula: C₃H₈O
• Molecular weight: 60.0950
• IUPAC Standard InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 Copy

  
• IUPAC Standard InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N Copy
• CAS Registry Number: 67-63-0
• 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-Propanol; sec-Propyl Alcohol; Alcojel; Alcosolve 2; Avantin; Avantine; Combi-Schutz; Dimethylcarbinol; Hartosol; Imsol A; Isohol; Isopropanol; Lutosol; Petrohol; Propol; PRO; Takineocol; 1-Methylethyl Alcohol; iso-C3H7OH; 2-Hydroxypropane; Propane, 2-hydroxy-; sec-Propanol; Propan-2-ol; i-Propylalkohol; Alcolo; Alcool isopropilico; Alcool isopropylique; Alkolave; Arquad DMCB; iso-Propylalkohol; Isopropyl alcohol, rubbing; IPA; Lavacol; Visco 1152; Alcosolve; i-Propanol; 2-Propyl alcohol; Spectrar; Sterisol hand disinfectant; UN 1219; n-Propan-2-ol; 1-methylethanol; Propanol-2; Virahol; IPS 1
• 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
  • 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

Go To: Top, 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

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.
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

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

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering 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: 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)
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 C₃H₈O⁺ (ion structure unspecified)

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

C₃H₇O^- +  =

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Ion clustering data

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

 +  = C₃H₈BrO^-

By formula: Br^- + C₃H₈O = C₃H₈BrO^-

 + 2 = C₆H₁₆BrO₂^-

By formula: Br^- + 2C₃H₈O = C₆H₁₆BrO₂^-

 +  = ( • )

By formula: CH₃S^- + C₃H₈O = (CH₃S^- • C₃H₈O)

CN^- +  = (CN^- • )

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

C₂H₇O⁺ +  = (C₂H₇O⁺ • )

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

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

C₃H₉O⁺ +  = (C₃H₉O⁺ • )

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

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

C₃H₉Si⁺ +  = (C₃H₉Si⁺ • )

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

Free energy of reaction

C₄H₁₁O⁺ +  = (C₄H₁₁O⁺ • )

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

 +  = C₉H₁₃OS^-

By formula: C₆H₅S^- + C₃H₈O = C₉H₁₃OS^-

 +  = ( • )

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

( • ) +  = ( • 2)

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

( • 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)

( • 7) +  = ( • 8)

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

 +  = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

 +  = ( • )

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

 + 2 = C₆H₁₆FO₂^-

By formula: F^- + 2C₃H₈O = C₆H₁₆FO₂^-

 + 3 = C₉H₂₄FO₃^-

By formula: F^- + 3C₃H₈O = C₉H₂₄FO₃^-

 +  = ( • )

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

 + 2 = C₆H₁₆IO₂^-

By formula: I^- + 2C₃H₈O = C₆H₁₆IO₂^-

 + 3 = C₉H₂₄IO₃^-

By formula: I^- + 3C₃H₈O = C₉H₂₄IO₃^-

 +  = ( • )

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

 +  = ( • )

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

 +  = ( • )

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

Free energy of reaction

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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Green J.H.S., Thermodynamic properties of organic oxygen compounds. Part 12. Vibrational assignment and calculated thermodynamic properties 0-1000 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1559-1563. [all data]

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Notes

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), References

• Symbols used in this document:
  

  AE	Appearance energy
  Cp,gas	Constant pressure heat capacity of gas
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Pc	Critical pressure
  S°liquid	Entropy of liquid at standard conditions
  T	Temperature
  Tboil	Boiling point
  Tc	Critical temperature
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  Vc	Critical volume
  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions
  ΔrS°	Entropy of reaction at standard conditions
  ΔvapH	Enthalpy of vaporization
  ΔvapH°	Enthalpy of vaporization at standard conditions
  ρc	Critical density

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