Isopropyl Alcohol

Formula: C₃H₈O
Molecular weight: 60.0950
IUPAC Standard InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC Standard InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
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
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Information on this page:
Other data available:
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, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-272.8	kJ/mol	Eqk	Buckley and Herington, 1965	ALS
Δ_fH°_gas	-271.1	kJ/mol	N/A	Chao and Rossini, 1965	Value computed using Δ_fH_liquid° value of -317.0±0.3 kj/mol from Chao and Rossini, 1965 and Δ_vapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB
Δ_fH°_gas	-272.3 ± 0.92	kJ/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_gas	-272.8	kJ/mol	N/A	Parks, Mosley, et al., 1950	Value computed using Δ_fH_liquid° value of -318.7 kj/mol from Parks, Mosley, et al., 1950 and Δ_vapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
35.32	50.	Thermodynamics Research Center, 1997	p=1 bar. Discrepancies with other statistically calculated values [ Green J.H.S., 1963] and [51KOB] increase at high temperatures up to 5 and 9 J/mol*K, respectively, in Cp(T). There is a good agreement with results [ Chao J., 1986]. Please also see Chao J., 1986, 2.; GT
46.04	100.
57.98	150.
68.28	200.
83.72	273.15
89.32 ± 0.15	298.15
89.74	300.
112.15	400.
131.96	500.
148.30	600.
161.75	700.
173.04	800.
182.67	900.
190.97	1000.
198.16	1100.
204.41	1200.
209.85	1300.
214.60	1400.
218.75	1500.
227.0	1750.
233.1	2000.
237.6	2250.
241.0	2500.
243.7	2750.
245.7	3000.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
103.06	358.72	Stromsoe E., 1970	Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1(a+bT). This expression approximates the experimental values with the average deviation of 1.59 J/molK. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Other experimental values of Cp [ Parks G.S., 1940] (118.83 at 427.9 K, 127.61 at 457.7 K, and 135.56 J/mol*K at 480.3 K) are believed to be less reliable. Please also see Hales J.L., 1963, Berman N.S., 1964.; GT
105.7 ± 1.6	365.75
105.77	371.15
106.29	373.15
108.1 ± 1.6	378.85
109.2 ± 1.6	384.95
110.08	391.15
110.8 ± 1.6	393.65
111.65	398.15
113.0 ± 1.6	405.35
114.35	411.15
117.02	423.15
118.70	431.15
122.10	448.15
122.80	451.15
121.7 ± 1.6	453.15
124.2 ± 1.6	466.75
127.01	473.15
126.7 ± 1.6	480.55
130.3 ± 1.6	499.75
132.9 ± 1.6	513.95
137.5 ± 1.6	539.05
142.6 ± 1.6	567.05
148.1 ± 1.6	597.25

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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

C₃H₇O^- + = Isopropyl Alcohol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1569. ± 4.2	kJ/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	1571. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1576. ± 4.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Δ_rH°	1572. ± 8.4	kJ/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1542. ± 4.6	kJ/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	1543. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1544. ± 8.8	kJ/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	81.17 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	76.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Δ_rH°	73.6 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	97.1	J/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
Δ_rG°	47.36	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	45.61	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	44.8 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

C₂H₇O⁺ + Isopropyl Alcohol = (C₂H₇O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉O⁺ + Isopropyl Alcohol = (C₃H₉O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	92.5	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	134.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	99.6	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

CN^- + Isopropyl Alcohol = (CN^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 3.3	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B,M
Δ_rH°	76. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Larson, Szulejko, et al., 1988	gas phase; M
Δ_rS°	104.	J/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37.7 ± 0.84	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B
Δ_rG°	44.8 ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	140.2 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	135. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Δ_rH°	139. ± 9.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/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
Δ_rG°	107.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	103. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

C₃H₉Si⁺ + Isopropyl Alcohol = (C₃H₉Si⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	184.	kJ/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
Δ_rS°	129.	J/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

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

( • 2 Isopropyl Alcohol ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3 ± 2.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	52.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.2	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	20. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • Isopropyl Alcohol ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	65.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 Isopropyl Alcohol ) + = ( • 8)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.7 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.81 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	51.0 ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.9	J/mol*K	PHPMS	Caldwell and Kebarle, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	27. ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B

+ = Isopropyl Alcohol

By formula: H₂ + C₃H₆O = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-68.74 ± 0.42	kJ/mol	Cm	Wiberg, Crocker, et al., 1991	liquid phase; ALS
Δ_rH°	-55.23	kJ/mol	Eqk	Buckley and Herington, 1965	gas phase; ALS
Δ_rH°	-55.40 ± 0.42	kJ/mol	Chyd	Dolliver, Gresham, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS

+ Isopropyl Alcohol = C₃H₈BrO^-

By formula: Br^- + C₃H₈O = C₃H₈BrO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.25 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	38. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	113. ± 4.6	kJ/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
85.4	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

( • 3 Isopropyl Alcohol ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 Isopropyl Alcohol ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 Isopropyl Alcohol ) + = ( • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 Isopropyl Alcohol ) + = ( • 7)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	71.55 ± 0.84	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.7	J/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	42.7 ± 3.3	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆FO₂^-

By formula: F^- + 2C₃H₈O = C₆H₁₆FO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.03 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	55.48	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = C₉H₁₃OS^-

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.76 ± 0.42	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.5 ± 1.7	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄FO₃^-

By formula: F^- + 3C₃H₈O = C₉H₂₄FO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.64 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35.0	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆IO₂^-

By formula: I^- + 2C₃H₈O = C₆H₁₆IO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆BrO₂^-

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.46 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄IO₃^-

By formula: I^- + 3C₃H₈O = C₉H₂₄IO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol =

By formula: C₄H₈ + C₃H₈O = C₇H₁₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-22.9 ± 1.3	kJ/mol	Eqk	Calderon, Tejero, et al., 1997	liquid phase; ALS
Δ_rH°	-21.7 ± 1.6	kJ/mol	Cm	Sola, Pericas, et al., 1997	liquid phase; ALS

Isopropyl Alcohol = +

By formula: C₃H₈O = H₂ + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55.23	kJ/mol	Eqk	Buckley and Herington, 1965	gas phase; ALS
Δ_rH°	56.543	kJ/mol	Eqk	Kolb and Burwell, 1945	gas phase; ALS

+ Isopropyl Alcohol = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	102. ± 8.4	kJ/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	270. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ = + Isopropyl Alcohol

By formula: C₅H₁₀O₂ + H₂O = C₂H₄O₂ + C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.3 ± 0.2	kJ/mol	Cm	Wadso, 1958	liquid phase; Heat of Hydrolysis; ALS

Isopropyl Alcohol + =

By formula: C₃H₈O + C₂HCl₃O = 2,2,2-trichloro-1-isopropoxyethanol

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-41.6	kJ/mol	Eqk	Jensen and Pedersen, 1971	liquid phase; solvent: Heptane; ALS

+ = + Isopropyl Alcohol

By formula: C₆H₁₂O + C₃H₆O = C₆H₁₀O + C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.9 ± 1.9	kJ/mol	Eqk	Fedoseenko, Yursha, et al., 1983	gas phase; At 503 K; ALS

Isopropyl Alcohol + = C₅H₈Cl₂F₂O

By formula: C₃H₈O + C₂Cl₂F₂ = C₅H₈Cl₂F₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-183. ± 1.	kJ/mol	Eqk	Kennedy, Lacher, et al., 1969	gas phase; ALS

+ Isopropyl Alcohol = +

By formula: C₆H₁₀O + C₃H₈O = C₆H₁₂O + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.9 ± 1.9	kJ/mol	Eqk	Kabo, Yursha, et al., 1988	gas phase; ALS

Isopropyl Alcohol + = +

By formula: C₃H₈O + HNO₃ = C₃H₇NO₃ + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-23.4	kJ/mol	Eqk	Rubtsov, 1986	liquid phase; ALS

+ Isopropyl Alcohol =

By formula: C₂H₂O + C₃H₈O = C₅H₁₀O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-150.2	kJ/mol	Cm	Rice and Greenberg, 1934	liquid phase; ALS

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	173. ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, References, Notes

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)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.17 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	793.0	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	762.6	kJ/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kJ/mol)	Reference	Comment
796. ± 6.	Cao and Holmes, 2001	MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.15 ± 0.07	EI	Bowen and Maccoll, 1984	LBLHLM
10.10 ± 0.02	PI	Potapov and Sorokin, 1972	LLK
10.29 ± 0.02	PE	Cocksey, Eland, et al., 1971	LLK
10.18	PE	Dewar and Worley, 1969	RDSH
10.12 ± 0.03	PI	Refaey and Chupka, 1968	RDSH
10.15 ± 0.05	PI	Watanabe, 1957	RDSH
10.44	PE	Benoit and Harrison, 1977	Vertical value; LLK
10.49 ± 0.03	PE	Peel and Willett, 1975	Vertical value; LLK
10.42	PE	Robin and Kuebler, 1973	Vertical value; LLK
10.36	PE	Katsumata, Iwai, et al., 1973	Vertical value; LLK
10.42	PE	Baker, Betteridge, et al., 1971	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	30.2 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
CH₃O⁺	12.5	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₃⁺	14.6	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₄O⁺	10.27 ± 0.09	CH₄	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₄O⁺	10.26	CH₄	EI	Holmes, Burgers, et al., 1982	LBLHLM
C₂H₄O⁺	10.23 ± 0.02	CH₄	PI	Potapov and Sorokin, 1972	LLK
C₂H₄O⁺	10.27 ± 0.03	CH₄	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺	10.20 ± 0.08	CH₃	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₅O⁺	10.26	CH₃	EI	Lossing, 1977	LLK
C₂H₅O⁺	10.40 ± 0.03	CH₃	PI	Potapov and Sorokin, 1972	LLK
C₂H₅O⁺	10.70	CH₃	EI	Haney and Franklin, 1969	RDSH
C₂H₅O⁺	10.40	CH₃	PI	Refaey and Chupka, 1968	RDSH
C₃H₆⁺	~12.0 ± 0.9	H₂O	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₆⁺	~12.0	H₂O	PI	Refaey and Chupka, 1968	RDSH
C₃H₇⁺	11.6	OH	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	≤10.48 ± 0.08	H	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₇O⁺	≤10.48	H	EI	Lossing, 1977	LLK
C₃H₇O⁺	10.3 ± 0.5	H	PI	Potapov and Sorokin, 1972	LLK
C₃H₇O⁺	10.6	H	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	11.85	H	EI	Lambdin, Tuffly, et al., 1959	RDSH

De-protonation reactions

C₃H₇O^- + = Isopropyl Alcohol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1569. ± 4.2	kJ/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	1571. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1576. ± 4.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Δ_rH°	1572. ± 8.4	kJ/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1542. ± 4.6	kJ/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	1543. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1544. ± 8.8	kJ/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, References, Notes

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

+ Isopropyl Alcohol = C₃H₈BrO^-

By formula: Br^- + C₃H₈O = C₃H₈BrO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.25 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	38. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

+ 2 Isopropyl Alcohol = C₆H₁₆BrO₂^-

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.46 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	71.55 ± 0.84	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.7	J/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	42.7 ± 3.3	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

CN^- + Isopropyl Alcohol = (CN^- • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 3.3	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B,M
Δ_rH°	76. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Larson, Szulejko, et al., 1988	gas phase; M
Δ_rS°	104.	J/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37.7 ± 0.84	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B
Δ_rG°	44.8 ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

C₂H₇O⁺ + Isopropyl Alcohol = (C₂H₇O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉O⁺ + Isopropyl Alcohol = (C₃H₉O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉Si⁺ + Isopropyl Alcohol = (C₃H₉Si⁺ • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	184.	kJ/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
Δ_rS°	129.	J/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

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

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	92.5	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

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

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	134.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	99.6	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

+ Isopropyl Alcohol = C₉H₁₃OS^-

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.76 ± 0.42	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.5 ± 1.7	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	81.17 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	76.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Δ_rH°	73.6 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	97.1	J/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
Δ_rG°	47.36	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	45.61	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	44.8 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

( • Isopropyl Alcohol ) + = ( • 2)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	65.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 2 Isopropyl Alcohol ) + = ( • 3)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3 ± 2.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	52.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.2	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	20. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 3 Isopropyl Alcohol ) + = ( • 4)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 Isopropyl Alcohol ) + = ( • 5)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 Isopropyl Alcohol ) + = ( • 6)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 Isopropyl Alcohol ) + = ( • 7)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 Isopropyl Alcohol ) + = ( • 8)

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.7 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ Isopropyl Alcohol = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	102. ± 8.4	kJ/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	140.2 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	135. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Δ_rH°	139. ± 9.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/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
Δ_rG°	107.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	103. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

+ 2 Isopropyl Alcohol = C₆H₁₆FO₂^-

By formula: F^- + 2C₃H₈O = C₆H₁₆FO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.03 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	55.48	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄FO₃^-

By formula: F^- + 3C₃H₈O = C₉H₂₄FO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.64 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35.0	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.81 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	51.0 ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.9	J/mol*K	PHPMS	Caldwell and Kebarle, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	27. ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆IO₂^-

By formula: I^- + 2C₃H₈O = C₆H₁₆IO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄IO₃^-

By formula: I^- + 3C₃H₈O = C₉H₂₄IO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	173. ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	270. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ Isopropyl Alcohol = ( • )

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

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	113. ± 4.6	kJ/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
85.4	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

liquid; Bruker Tensor 27 FTIR; 0.48212986 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Notes

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Lambdin, Tuffly, et al., 1959
Lambdin, W.J.; Tuffly, B.L.; Yarborough, V.A., Appearance potentials as obtained with an analytical mass spectrometer, Appl. Spectry., 1959, 13, 71. [all data]

Notes

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Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
IE (evaluated)	Recommended ionization energy
T	Temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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