1-Propanol

• Formula: C₃H₈O
• Molecular weight: 60.0950
• IUPAC Standard InChI:
  

  InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3 Download the identifier in a file.

• IUPAC Standard InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N
• 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:
  • Ion clustering data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Henry's Law data
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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

CH₆N⁺ +  = (CH₆N⁺  )

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	22.0	kcal/mol	PHPMS	Meot-Ner, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	25.6	cal/mol*K	PHPMS	Meot-Ner, 1984	gas phase; M

C₂H₇O⁺ +  = (C₂H₇O⁺  )

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	30.3	kcal/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
rS°	28.4	cal/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
rG°	21.8	kcal/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₃H₅O⁺ +  = (C₃H₅O⁺  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	21.7	kcal/mol	ICR	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
rG°	13.0	kcal/mol	ICR	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M

C₃H₅O^- +  = (C₃H₅O^-  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	21.6 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity	Value	Units	Method	Reference	Comment
rG°	12.9 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

C₃H₇O^- +  = (C₃H₇O^-  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	28.5 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
rG°	19.4 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C₃H₉O⁺ +  = (C₃H₉O⁺  )

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	30.4	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
rH°	31.6	kcal/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
rS°	26.7	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; switching reaction(CH3CNH+)CH3CN; Lias, Liebman, et al., 1984, Deakyne, Meot-Ner (Mautner), et al., 1986; M
rS°	30.2	cal/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
rG°	22.6	kcal/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

(C₃H₉O⁺  ) +  = (C₃H₉O⁺  2)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	21.6	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
rH°	18.9	kcal/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	31.4	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
rS°	23.0	cal/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺  2) +  = (C₃H₉O⁺  3)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	14.4	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
rH°	14.2	kcal/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	25.5	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
rS°	23.8	cal/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺  3) +  = (C₃H₉O⁺  4)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	11.9	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
rH°	11.7	kcal/mol	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	24.8	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
rS°	23.0	cal/mol*K	PHPMS	Hiraoka, Morise, et al., 1986	gas phase; M

(C₃H₉O⁺  4) +  = (C₃H₉O⁺  5)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	10.9	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	25.4	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺  5) +  = (C₃H₉O⁺  6)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	11.1	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	28.8	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺  6) +  = (C₃H₉O⁺  7)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	10.9	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	30.5	cal/mol*K	PHPMS	Meot-Ner (Mautner), 1992	gas phase; M

(C₃H₉O⁺  7) +  = (C₃H₉O⁺  8)

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	11.	kcal/mol	PHPMS	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	30.	cal/mol*K	N/A	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
4.1	215.	PHPMS	Meot-Ner (Mautner), 1992	gas phase; Entropy change calculated or estimated; M

C₃H₉Si⁺ +  = (C₃H₉Si⁺  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	43.3	kcal/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	30.8	cal/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
28.9	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+))H2O, Entropy change calculated or estimated; M

C₃H₉Sn⁺ +  = (C₃H₉Sn⁺  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	35.5	kcal/mol	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rS°	32.	cal/mol*K	N/A	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
18.7	525.	PHPMS	Stone and Splinter, 1984	gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M

C₄H₉O^- +  = (C₄H₉O^-  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	27.3 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
rG°	18.6 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

C₄H₁₁O⁺ +  = (C₄H₁₁O⁺  )

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

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

Quantity	Value	Units	Method	Reference	Comment
rH°	31.7	kcal/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.2	cal/mol*K	N/A	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M
Quantity	Value	Units	Method	Reference	Comment
rG°	23.0	kcal/mol	ICR	Larson and McMahon, 1982	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M

C₅H₁₁O^- +  = (C₅H₁₁O^-  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	26.9 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B
Quantity	Value	Units	Method	Reference	Comment
rG°	18.2 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	15.0	kcal/mol	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rS°	26.0	cal/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M

C₈H₅^- +  = (C₈H₅^-  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	22.5 ± 2.9	kcal/mol	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.3	cal/mol*K	N/A	Caldwell, Rozeboom, et al., 1984	gas phase; switching reaction(CH3O-)CH3OH, Entropy change calculated or estimated; re-evaluated using Meot-Ner(Mautner), 1986 and Paul and Kebarle, 1990; M
Quantity	Value	Units	Method	Reference	Comment
rG°	13.8 ± 2.0	kcal/mol	IMRE	Caldwell, Rozeboom, et al., 1984	gas phase; Reanchored to average data from Paul and Kebarle, 1990 and Meot-ner and Sieck, 1986.; value altered from reference due to change in acidity scale; B,M

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	20.40 ± 0.50	kcal/mol	TDAs	Hiraoka, 1987	gas phase; B,B,M
rH°	17.7 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	29.0	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
rS°	23.2	cal/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
rG°	11.70	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
rG°	11.7 ± 2.0	kcal/mol	TDAs	Hiraoka, 1987	gas phase; B
rG°	10.8 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

(  ) +  = (  2)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	15.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	25.4	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	8.2 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(  2) +  = (  3)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	14.2 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	31.2	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	4.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(  3) +  = (  4)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	13.3 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	32.1	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	3.7 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(  4) +  = (  5)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	12.6 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	32.9	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	2.7 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(  5) +  = (  6)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	11.6 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	31.0	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	2.3 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(  6) +  = (  7)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	11.0 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	30.2	cal/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
rG°	1.9 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

(  7) +  = (  8)

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

Quantity	Value	Units	Method	Reference	Comment
rH°	10.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	30.	cal/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
rG°	1.8 ± 1.0	kcal/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

 +  = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
rG°	24.3 ± 2.0	kcal/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	32.3 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
rS°	25.4	cal/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
rG°	24.7 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	40.9 ± 1.9	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	64. ± 5.	kcal/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

 +  = (  )

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

Quantity	Value	Units	Method	Reference	Comment
rH°	25.8 ± 1.0	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
rH°	25.8 ± 1.0	kcal/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

References

Go To: Top, Ion clustering data, Notes

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

Meot-Ner, 1984
Meot-Ner, (Mautner)M., The Ionic Hydrogen Bond and Ion Solvation. 1. -NH+ O-, -NH+ N- and -OH+ O- Bonds. Correlations with Proton Affinity. Deviations Due to Structural Effects, J. Am. Chem. Soc., 1984, 106, 5, 1257, https://doi.org/10.1021/ja00317a015 . [all data]

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]

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]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [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]

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]

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), 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]

Deakyne, Meot-Ner (Mautner), et al., 1986
Deakyne, C.A.; Meot-Ner (Mautner), M.; Campbell, C.L.; Hughes, M.G.; Murphy, S.P., Multicomponent Cluster Ions. 1. The Acetonitrile - Water System, J. Chem. Phys., 1986, 90, 4648. [all data]

Hiraoka, Morise, et al., 1986
Hiraoka, K.; Morise, K.; Nishijima, T.; Nakamura, S.; Nakazato, M.; Ohkuma, K., Gas Phase Ion Equilibria Studies of Protons and Chloride Ions in Propanol and Acetone, Int. J. Mass Spectrom. Ion Proc., 1986, 68, 1-2, 99, https://doi.org/10.1016/0168-1176(86)87071-9 . [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Stone and Splinter, 1984
Stone, J.A.; Splinter, D.E., A high-pressure mass spectrometric study of the binding of (CH₃)₃Sn⁺ to lewis bases in the gas phase, Int. J. Mass Spectrom. Ion Processes, 1984, 59, 169. [all data]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [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]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S., Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH, Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4 . [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Wilkinson, Szulejko, et al., 1992
Wilkinson, F.E.; Szulejko, J.E.; Allison, C.E.; Mcmahon, T.B., Fourier Transform Ion Cyclotron Resonance Investigation of the Deuterium Isotope Effect on Gas Phase Ion/Molecule Hydrogen Bonding Interactions in Alcohol-Fluoride Adduct Ions, Int. J. Mass Spectrom., 1992, 117, 487-505, https://doi.org/10.1016/0168-1176(92)80110-M . [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Rodgers and Armentrout, 1999
Rodgers, M.T.; Armentrout, P.B., Absolute Binding Energies of Sodium Ions to Short-Chain Alcohols, CnH2n+2O, n=1-4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, 1999, 4955. [all data]

Notes

Go To: Top, Ion clustering data, References

• Symbols used in this document:
  

  T	Temperature
  rG°	Free energy of reaction at standard conditions
  rH°	Enthalpy of reaction at standard conditions
  rS°	Entropy of reaction at standard conditions

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