Isopropyl Alcohol
- Formula: C3H8O
- Molecular weight: 60.0950
- 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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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -272.8 | kJ/mol | Eqk | Buckley and Herington, 1965 | ALS |
ΔfH°gas | -271.1 | kJ/mol | N/A | Chao and Rossini, 1965 | Value computed using ΔfHliquid° value of -317.0±0.3 kj/mol from Chao and Rossini, 1965 and ΔvapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB |
ΔfH°gas | -272.3 ± 0.92 | kJ/mol | Ccb | Snelson and Skinner, 1961 | ALS |
ΔfH°gas | -272.8 | kJ/mol | N/A | Parks, Mosley, et al., 1950 | Value computed using ΔfHliquid° value of -318.7 kj/mol from Parks, Mosley, et al., 1950 and ΔvapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB |
Constant pressure heat capacity of gas
Cp,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
Cp,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/mol*K. 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 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 355.5 ± 0.4 | K | AVG | N/A | Average of 102 out of 118 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 185.75 | K | N/A | Ogimachi, Corcoran, et al., 1961 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 185.35 | K | N/A | Anonymous, 1958 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 184.9 ± 0.6 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 509. ± 2. | K | AVG | N/A | Average of 19 out of 20 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 49. ± 5. | bar | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.222 | l/mol | N/A | Gude and Teja, 1995 | |
Vc | 0.223 | l/mol | N/A | Ambrose, Counsell, et al., 1978 | Uncertainty assigned by TRC = 0.003 l/mol; PVT compatible with values chosen.; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.51 ± 0.02 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 4.54 | mol/l | N/A | Teja, Lee, et al., 1989 | TRC |
ρc | 4.538 | mol/l | N/A | Ambrose and Townsend, 1963 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 45. ± 3. | kJ/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.85 | 355.4 | N/A | Majer and Svoboda, 1985 | |
43.2 | 337. | N/A | Segura, Galindo, et al., 2002 | Based on data from 322. to 355. K.; AC |
39.8 | 355. | N/A | Wormald and Vine, 2000 | AC |
29.7 | 423. | N/A | Wormald and Vine, 2000 | AC |
23.7 | 453. | N/A | Wormald and Vine, 2000 | AC |
16.5 | 483. | N/A | Wormald and Vine, 2000 | AC |
10.5 | 503. | N/A | Wormald and Vine, 2000 | AC |
44.8 | 315. | N/A | Aucejo, Gonzalez-Alfaro, et al., 1995 | Based on data from 300. to 355. K.; AC |
50.3 | 213. | A | Stephenson and Malanowski, 1987 | Based on data from 195. to 228. K.; AC |
42.0 | 355. | A | Stephenson and Malanowski, 1987 | Based on data from 347. to 368. K.; AC |
41.3 | 365. | A | Stephenson and Malanowski, 1987 | Based on data from 350. to 383. K.; AC |
39.2 | 394. | A | Stephenson and Malanowski, 1987 | Based on data from 379. to 461. K.; AC |
35.3 | 468. | A | Stephenson and Malanowski, 1987 | Based on data from 453. to 508. K.; AC |
43.1 | 340. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 325. to 362. K. See also Ambrose, Counsell, et al., 1970.; AC |
45.7 | 288. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 273. to 374. K.; AC |
45.5 | 303. | N/A | Van Ness, Soczek, et al., 1967 | Based on data from 288. to 348. K.; AC |
42.7 ± 0.1 | 330. | C | Berman, Larkam, et al., 1964 | AC |
41.0 ± 0.1 | 346. | C | Berman, Larkam, et al., 1964 | AC |
39.8 ± 0.1 | 355. | C | Berman, Larkam, et al., 1964 | AC |
38.9 ± 0.1 | 363. | C | Berman, Larkam, et al., 1964 | AC |
39.1 | 410. | N/A | Ambrose and Townsend, 1963, 2 | Based on data from 395. to 508. K.; AC |
42.8 | 344. | EB | Biddiscombe, Collerson, et al., 1963 | Based on data from 329. to 363. K.; AC |
43.2 | 324. | C | Hales, Cox, et al., 1963 | AC |
41.7 | 339. | C | Hales, Cox, et al., 1963 | AC |
39.8 | 355. | C | Hales, Cox, et al., 1963 | AC |
43.40 ± 0.08 | 324.11 | V | Williamson and Harrison, 1957 | ALS |
41.1 | 369. | N/A | Foz Gazulla, Morcilio, et al., 1955 | Based on data from 354. to 420. K.; AC |
Enthalpy of vaporization
ΔvapH = A exp(-αTr)
(1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | 298. to 380. |
---|---|
A (kJ/mol) | 53.38 |
α | -0.708 |
β | 0.6538 |
Tc (K) | 508.3 |
Reference | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
395.1 to 508.24 | 4.57795 | 1221.423 | -87.474 | Ambrose and Townsend, 1963, 3 | Coefficents calculated by NIST from author's data. |
329.92 to 362.41 | 4.8610 | 1357.427 | -75.814 | Biddiscombe, Collerson, et al., 1963, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.410 | 185.20 | Andon, Counsell, et al., 1963 | DH |
5.372 | 184.67 | Kelley, 1929 | DH |
5.41 | 185.2 | Domalski and Hearing, 1996 | AC |
5.301 | 184.6 | Parks and Kelley, 1928 | DH |
5.297 | 184.6 | Parks and Kelley, 1925 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
29.21 | 185.20 | Andon, Counsell, et al., 1963 | DH |
29.09 | 184.67 | Kelley, 1929 | DH |
28.72 | 184.6 | Parks and Kelley, 1928 | DH |
28.7 | 184.6 | Parks and Kelley, 1925 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
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- + =
By formula: C3H7O- + H+ = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1569. ± 4.2 | kJ/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrH° | 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 |
ΔrH° | 1576. ± 4.2 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 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 |
ΔrG° | 1542. ± 4.6 | kJ/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrG° | 1543. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1544. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
By formula: Cl- + C3H8O = (Cl- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.17 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 76.6 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
ΔrH° | 73.6 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 103. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
ΔrS° | 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 |
ΔrG° | 47.36 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 45.61 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 44.8 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: C2H7O+ + C3H8O = (C2H7O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: C3H9O+ + C3H8O = (C3H9O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: C4H11O+ + C3H8O = (C4H11O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: C4H11O+ + C3H8O = (C4H11O+ • C3H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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 |
ΔrG° | 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 |
By formula: CN- + C3H8O = (CN- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.9 ± 3.3 | kJ/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
ΔrH° | 76. ± 15. | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
ΔrS° | 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 |
ΔrG° | 37.7 ± 0.84 | kJ/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
ΔrG° | 44.8 ± 9.6 | kJ/mol | IMRE | Larson and McMahon, 1987 | gas phase; B,M |
By formula: F- + C3H8O = (F- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 140.2 ± 2.9 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 135. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
ΔrH° | 139. ± 9.2 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 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 |
ΔrG° | 107.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 103. ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1983 | gas phase; B,M |
By formula: C3H9Si+ + C3H8O = (C3H9Si+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 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
ΔrG° (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 |
By formula: (Cl- • 2C3H8O) + C3H8O = (Cl- • 3C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.3 ± 2.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 52.3 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.2 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 20. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • C3H8O) + C3H8O = (Cl- • 2C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.9 ± 1.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 65.3 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.1 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 34. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 7C3H8O) + C3H8O = (Cl- • 8C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 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 |
ΔrS° | 130. | J/mol*K | N/A | Hiraoka and Mizuse, 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.7 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: I- + C3H8O = (I- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.81 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrH° | 51.0 ± 4.2 | kJ/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79.9 | J/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 26.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 27. ± 4.2 | kJ/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
By formula: H2 + C3H6O = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -68.74 ± 0.42 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -55.23 | kJ/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | -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 |
+
= C3H8BrO-
By formula: Br- + C3H8O = C3H8BrO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 60.25 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 34.9 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
ΔrG° | 38. ± 8.4 | kJ/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B |
By formula: Na+ + C3H8O = (Na+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 113. ± 4.2 | kJ/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
ΔrH° | 113. ± 4.6 | kJ/mol | CIDT | Rodgers and Armentrout, 1999 | RCD |
Free energy of reaction
ΔrG° (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 |
By formula: (Cl- • 3C3H8O) + C3H8O = (Cl- • 4C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.8 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 120. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 4C3H8O) + C3H8O = (Cl- • 5C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48.5 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 128. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10. ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 5C3H8O) + C3H8O = (Cl- • 6C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 47.3 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 130. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: (Cl- • 6C3H8O) + C3H8O = (Cl- • 7C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.4 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 131. | J/mol*K | PHPMS | Hiraoka and Mizuse, 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.1 ± 4.2 | kJ/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: CH3S- + C3H8O = (CH3S- • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.55 ± 0.84 | kJ/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 96.7 | J/mol*K | PHPMS | Sieck and Meot-ner, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 42.7 ± 3.3 | kJ/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
+ 2
= C6H16FO2-
By formula: F- + 2C3H8O = C6H16FO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 87.03 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 55.48 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+
= C9H13OS-
By formula: C6H5S- + C3H8O = C9H13OS-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 62.76 ± 0.42 | kJ/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 30.5 ± 1.7 | kJ/mol | TDAs | Sieck and Meot-ner, 1989 | gas phase; B |
+ 3
= C9H24FO3-
By formula: F- + 3C3H8O = C9H24FO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 73.64 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 35.0 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 2
= C6H16IO2-
By formula: I- + 2C3H8O = C6H16IO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.0 ± 1.3 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 19.5 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 2
= C6H16BrO2-
By formula: Br- + 2C3H8O = C6H16BrO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.46 ± 0.84 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 22.8 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
+ 3
= C9H24IO3-
By formula: I- + 3C3H8O = C9H24IO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.7 ± 2.9 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 14.8 | kJ/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
By formula: C4H8 + C3H8O = C7H16O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -22.9 ± 1.3 | kJ/mol | Eqk | Calderon, Tejero, et al., 1997 | liquid phase; ALS |
ΔrH° | -21.7 ± 1.6 | kJ/mol | Cm | Sola, Pericas, et al., 1997 | liquid phase; ALS |
By formula: C3H8O = H2 + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 55.23 | kJ/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | 56.543 | kJ/mol | Eqk | Kolb and Burwell, 1945 | gas phase; ALS |
+
= C3H7D8FO-
By formula: F- + C3H8O = C3H7D8FO-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 102. ± 8.4 | kJ/mol | IMRE | Wilkinson, Szulejko, et al., 1992 | gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B |
By formula: Mg+ + C3H8O = (Mg+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 270. ± 20. | kJ/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M |
By formula: C5H10O2 + H2O = C2H4O2 + C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.3 ± 0.2 | kJ/mol | Cm | Wadso, 1958 | liquid phase; Heat of Hydrolysis; ALS |
By formula: C3H8O + C2HCl3O = 2,2,2-trichloro-1-isopropoxyethanol
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -41.6 | kJ/mol | Eqk | Jensen and Pedersen, 1971 | liquid phase; solvent: Heptane; ALS |
By formula: C6H12O + C3H6O = C6H10O + C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 ± 1.9 | kJ/mol | Eqk | Fedoseenko, Yursha, et al., 1983 | gas phase; At 503 K; ALS |
+
= C5H8Cl2F2O
By formula: C3H8O + C2Cl2F2 = C5H8Cl2F2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -183. ± 1. | kJ/mol | Eqk | Kennedy, Lacher, et al., 1969 | gas phase; ALS |
By formula: C6H10O + C3H8O = C6H12O + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.9 ± 1.9 | kJ/mol | Eqk | Kabo, Yursha, et al., 1988 | gas phase; ALS |
By formula: C3H8O + HNO3 = C3H7NO3 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -23.4 | kJ/mol | Eqk | Rubtsov, 1986 | liquid phase; ALS |
By formula: C2H2O + C3H8O = C5H10O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -150.2 | kJ/mol | Cm | Rice and Greenberg, 1934 | liquid phase; ALS |
By formula: Li+ + C3H8O = (Li+ • C3H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 173. ± 7.9 | kJ/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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)
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- + =
By formula: C3H7O- + H+ = C3H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1569. ± 4.2 | kJ/mol | D-EA | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrH° | 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 |
ΔrH° | 1576. ± 4.2 | kJ/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 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 |
ΔrG° | 1542. ± 4.6 | kJ/mol | H-TS | Ramond, Davico, et al., 2000 | gas phase; B |
ΔrG° | 1543. ± 8.4 | kJ/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrG° | 1544. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (40 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- GAS (VAPOR); PERKIN-ELMER 21 (GRATING); DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1333, 10% IN CS2 FOR 1333-400 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 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
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | VERIFINN |
NIST MS number | 289584 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 100. | 508. | Tarjan, Nyiredy, et al., 1989 | |
Capillary | SE-30 | 60. | 491. | Tarjan, Nyiredy, et al., 1989 | |
Capillary | SE-30 | 80. | 453. | Tarjan, Nyiredy, et al., 1989 | |
Capillary | SE-30 | 100. | 508. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 60. | 491. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 80. | 453. | Haken and Korhonen, 1985 | Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 100. | 508. | Haken, Madden, et al., 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 60. | 491. | Haken, Madden, et al., 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 80. | 453. | Haken, Madden, et al., 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Packed | SE-30 | 100. | 480. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Porapack Q | 200. | 458. | Goebel, 1982 | N2 |
Packed | SE-30 | 150. | 447. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 120. | 450. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 444. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 70. | 450. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Apolane | 70. | 446.0 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | SE-30 | 100. | 477. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Packed | Apiezon M | 130. | 456. | Golovnya and Garbuzov, 1974 | N2, Chromosorb W; Column length: 2.1 m |
Packed | Apiezon L | 100. | 460. | Wagaman and Smith, 1971 | CH4; Column length: 3. m |
Packed | Squalane | 50. | 476. | Mira and Sanchez, 1970 | Chromosorb G |
Packed | SE-30 | 100. | 490. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Packed | DC-200 | 100. | 486. | Rohrschneider, 1966 | Column length: 4. m |
Packed | Apiezon L | 100. | 463. | Rohrschneider, 1966 | Column length: 5. m |
Packed | Apiezon L | 70. | 450. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 524. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 494. | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Supelcowax-10 | 60. | 935. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Capillary | OV-351 | 60. | 949. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 80. | 957. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 60. | 949. | Haken, Madden, et al., 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 80. | 957. | Haken, Madden, et al., 1985 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Packed | Carbowax 20M | 75. | 962. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Packed | Carbowax 20M | 100. | 885. | Kevei and Kozma, 1976 | Chromosorb |
Packed | PEG-2000 | 150. | 963. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 935. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 928. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 922. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | Carbowax 20M | 100. | 912. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Packed | Polyethylene Glycol 4000 | 100. | 932. | Bonastre and Grenier, 1968 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 120. | 920. | Bonastre and Grenier, 1968 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 140. | 910. | Bonastre and Grenier, 1968 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 80. | 940. | Bonastre and Grenier, 1968 | Chromosorb P; Column length: 6. m |
Packed | Carbowax 20M | 100. | 903. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 927. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Carbowax 20M | 891. | Kevei and Kozma, 1976 | Chromosorb; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Sil 8CB-MS | 524. | Hierro, de la Hoz, et al., 2004 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 524. | Bruna, Hierro, et al., 2003 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | Petrocol DH | 495.4 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | Petrocol DH | 500. | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | CP Sil 5 CB | 481. | Pino, Almora, et al., 2003 | 60. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-5 | 515.8 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | SE-30 | 515. | Korhonen, 1984 | 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 50. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 510. | Bonaiti, Irlinger, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) |
Capillary | HP-5 | 510. | Engel, Baty, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
Packed | SE-30 | 483. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 884. | Quijano, Linares, et al., 2007 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min |
Capillary | DB-Wax | 920. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | DB-Wax | 935. | Malliaa, Fernandez-Garcia, et al., 2005 | 60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min |
Capillary | Carbowax | 941.4 | Censullo, Jones, et al., 2003 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min |
Capillary | FFAP | 950. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | DB-Wax | 921. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 912. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | Carbowax 20M | 884. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | Carbowax 20M | 888. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | DB-Wax | 932. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 938. | Fröhlich, Duque, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 250. C |
Capillary | OV-351 | 909. | Korhonen, 1984 | 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 50. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 975. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 970. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | DB-Wax | 935. | Radovic, Careri, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | FFAP | 924. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-1 | 60. | 480. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | Synachrom | 150. | 472. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 474. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | DC-400 | 150. | 456. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 530. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 496. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | Petrocol DH | 493. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | SPB-5 | 506. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | HP-5 | 483.4 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | MDN-5 | 514. | van Loon, Linssen, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min |
Capillary | HP-5 | 500. | García, Martín, et al., 2000 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | BP-1 | 488. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 500. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 502. | del Rosario, de Lumen, et al., 1984 | He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; Tend: 225. C |
Capillary | SF-96 | 516. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 516. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | Methyl Silicone | 477. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 477. | Kou, Zhang, et al., 2006 | Program: not specified |
Capillary | Methyl Silicone | 498. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | HP-5 | 499. | Thierry, Maillard, et al., 2005 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | Methyl Silicone | 477. | Fu and Wang, 2004 | Program: not specified |
Capillary | SE-30 | 500. | Vinogradov, 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 511. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 486. | Zenkevich, 1999 | Program: not specified |
Capillary | Polydimethyl siloxanes | 486. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 474. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Methyl Silicone | 486. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | SPB-1 | 474. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 530. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 475. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | CP Sil 8 CB | 491. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
Capillary | methyl silicone oil with 5% Igepal | 481. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | methyl silicone oil with 5% Igepal | 503. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | DB-1 | 475. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | OV-101 | 500. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 100. | 917. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 60. | 928. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | Carbowax 20M | 80. | 922. | Sun, Siepmann, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium |
Capillary | DB-Wax | 60. | 948. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 923. | Hayata, Sakamoto, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min |
Capillary | HP-FFAP | 884. | Qian and Reineccius, 2002 | 25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min |
Capillary | TC-Wax | 925. | Suhardi, Suzuki, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 926. | Chyau and Mau, 1999 | 60. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | Carbowax 20M | 884. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | DB-Wax | 917. | Binder, Flath, et al., 1989 | 50. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | FFAP | 885. | Vernin, Metzger, et al., 1988 | He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 921. | Gyawali and Kim, 2012 | 60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C |
Capillary | DB-Wax | 912. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 925. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 938. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 947. | Kadar, Juan-Borras, et al., 2010 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min) |
Capillary | Supelcowax-10 | 970. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 975. | Berard, Bianchi, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) |
Capillary | DB-Wax | 910. | Mattheis, Fan, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) |
Capillary | DB-Wax | 933. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Carbowax 20M | 884. | Vinogradov, 2004 | Program: not specified |
Capillary | Polyethylene Glycol | 906. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
Capillary | DB-Wax | 931. | Mattheis, Buchanan, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
Capillary | DB-Wax | 931. | Mattheis, Buchanan, et al., 1992 | 60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) |
Capillary | DB-Wax | 942. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 921. | Binder, Flath, et al., 1989 | Column length: 60. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 884. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 962. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 908. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas IE (evaluated) Recommended ionization energy Pc Critical pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas 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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