2-Butanone
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- CAS Registry Number: 78-93-3
- 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: Butan-2-one; Butanone; Ethyl methyl ketone; Ketone, methyl ethyl; Methyl ethyl ketone; MEK; C2H5COCH3; Acetone, methyl-; Aethylmethylketon; 3-Butanone; Butanone 2; Ethyl methyl cetone; Ethylmethylketon; Ketone, ethyl methyl; Meetco; Methyl acetone; Metiletilchetone; Metyloetyloketon; Rcra waste number U159; UN 1193; 2-Oxobutane; 2-Butanal; 2-butanone (MEK; methyl ethyl ketone); 2-butanone (MEK)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -57.02 ± 0.20 | kcal/mol | Cm | Chao and Zwolinski, 1976 | ALS |
ΔfH°gas | -57.05 ± 0.23 | kcal/mol | Eqk | Buckley and Herington, 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -56.89 kcal/mol; ALS |
ΔfH°gas | -56.90 | kcal/mol | Ccb | Sinke and Oetting, 1964 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
13.63 | 100. | Chao J., 1986 | p=1 bar. Recommended values agree with results of statistical calculations [ Sinke G.C., 1964, Chao J., 1976] within 0.2-1.8 J/mol*K. S(T) values calculated by [ Nickerson J.K., 1961] are different from selected ones by 4-5 J/mol*K.; GT |
16.49 | 150. | ||
19.17 | 200. | ||
22.97 | 273.15 | ||
24.302 ± 0.033 | 298.15 | ||
24.400 | 300. | ||
29.725 | 400. | ||
34.668 | 500. | ||
38.994 | 600. | ||
42.727 | 700. | ||
45.949 | 800. | ||
48.736 | 900. | ||
51.145 | 1000. | ||
53.224 | 1100. | ||
55.022 | 1200. | ||
56.573 | 1300. | ||
57.913 | 1400. | ||
59.075 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.110 ± 0.055 | 347.15 | von Geiseler G., 1973 | Experimental data [ Vilcu R., 1975] differ appreciably from data selected here. Their correctness seems to be doubtful (see [ Kabo G.J., 1995]). Low accuracy is also expected for experimental value of Cp(410 K)=123.85 J/mol*K [ Bennewitz K., 1938]. Please also see Nickerson J.K., 1961.; GT |
27.641 ± 0.041 | 358.79 | ||
28.370 ± 0.043 | 371.90 | ||
28.449 ± 0.057 | 372.15 | ||
29.099 ± 0.043 | 385.60 | ||
29.730 ± 0.060 | 397.15 | ||
29.780 ± 0.045 | 399.55 | ||
30.349 ± 0.045 | 410.70 | ||
31.479 ± 0.062 | 432.15 | ||
33.131 ± 0.067 | 467.15 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -65.31 ± 0.29 | kcal/mol | Ccb | Sinke and Oetting, 1964 | ALS |
ΔfH°liquid | -66.68 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -584.17 | kcal/mol | Ccb | Sinke and Oetting, 1964 | Corresponding ΔfHºliquid = -65.29 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -582.80 | kcal/mol | Ccb | Parks, Mosley, et al., 1950 | see Moore, Renquist, et al., 1940; Corresponding ΔfHºliquid = -66.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -582.28 ± 0.37 | kcal/mol | Ccb | Crog and Hunt, 1942 | Corresponding ΔfHºliquid = -67.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 57.12 | cal/mol*K | N/A | Andon, Counsell, et al., 1968 | DH |
S°liquid | 57.079 | cal/mol*K | N/A | Sinke and Oetting, 1964 | DH |
S°liquid | 57.70 | cal/mol*K | N/A | Parks, Kennedy, et al., 1956 | Extrapolation below 80 K, 53.47 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.0 | 298.15 | Malhotra and Woolf, 1992 | T = 278 to 338 K. p = 0.1 MPa.; DH |
38.77 | 303.15 | Reddy, 1986 | T = 303.15, 313.15 K.; DH |
37.86 | 298.15 | Costas and Patterson, 1985 | T = 283.15, 298.15, 313.15 K.; DH |
37.86 | 298.15 | Costas and Patterson, 1985, 2 | DH |
37.741 | 298.15 | Grolier and Benson, 1984 | DH |
37.86 | 298.1 | Roux, Perron, et al., 1978 | T = 277 to 313 K.; DH |
38.05 | 298.15 | Grolier, Benson, et al., 1975 | DH |
37.93 | 298.15 | Andon, Counsell, et al., 1968 | T = 10 to 320 K.; DH |
37.76 | 293. | Rastorguev and Ganiev, 1967 | T = 293 to 353 K.; DH |
37.980 | 298.15 | Sinke and Oetting, 1964 | T = 13 to 308 K.; DH |
37.861 | 298.15 | Parks, Kennedy, et al., 1956 | T = 80 to 300 K.; DH |
38.41 | 297.0 | Kolosovskii and Udovenko, 1934 | DH |
38.41 | 297.0 | de Kolossowsky and Udowenko, 1933 | DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 353. ± 1. | K | AVG | N/A | Average of 88 out of 89 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 186.4 ± 0.5 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 186.5 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 186.47 | K | N/A | Andon, Counsell, et al., 1968, 2 | Uncertainty assigned by TRC = 0.04 K; TRC |
Ttriple | 186.4 | K | N/A | Sinke and Oetting, 1964, 2 | Uncertainty assigned by TRC = 0.06 K; measured for the sample, 1/f = 1.00; TRC |
Ttriple | 186.48 | K | N/A | Sinke and Oetting, 1964, 2 | Uncertainty assigned by TRC = 0.03 K; measured for the sample, 1/f = 1.00; TRC |
Ttriple | 186.1 | K | N/A | Parks, Kennedy, et al., 1956, 2 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 535. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 41. ± 2. | atm | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.74 | mol/l | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.21 mol/l; TRC |
ρc | 3.49 | mol/l | N/A | Rosenbaum, 1951 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.2 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.48 | 352.8 | N/A | Majer and Svoboda, 1985 | |
8.27 | 309. | A | Stephenson and Malanowski, 1987 | Based on data from 294. to 342. K.; AC |
7.77 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 403. K.; AC |
7.55 | 412. | A | Stephenson and Malanowski, 1987 | Based on data from 397. to 479. K.; AC |
7.43 | 488. | A | Stephenson and Malanowski, 1987 | Based on data from 473. to 537. K.; AC |
8.10 | 330. | A,EB,GS | Stephenson and Malanowski, 1987 | Based on data from 315. to 363. K. See also Ambrose, Ellender, et al., 1975 and Collerson, Counsell, et al., 1965.; AC |
8.51 | 273. | N/A | Di Cave, Chianese, et al., 1978 | Based on data from 258. to 362. K.; AC |
8.08 | 315. | C | Geiseler, Quitzsch, et al., 1973 | AC |
8.08 ± 0.02 | 314. | C | Nickerson, Kobe, et al., 1961 | AC |
7.72 ± 0.02 | 338. | C | Nickerson, Kobe, et al., 1961 | AC |
7.48 ± 0.02 | 352. | C | Nickerson, Kobe, et al., 1961 | AC |
7.29 ± 0.02 | 363. | C | Nickerson, Kobe, et al., 1961 | AC |
7.17 ± 0.02 | 370. | C | Nickerson, Kobe, et al., 1961 | AC |
8.10 | 329. | N/A | Stull, 1947 | Based on data from 314. to 370. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 371. | 12.40 | 0.2925 | 536.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
314.6 to 370.6 | 3.9837 | 1150.207 | -63.904 | Nickerson, Kobe, et al., 1961 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.004 | 186.47 | Andon, Counsell, et al., 1968 | DH |
2.0169 | 186.48 | Sinke and Oetting, 1964 | DH |
2.02 | 186.5 | Acree, 1991 | AC |
2.028 | 186.1 | Parks, Kennedy, et al., 1956 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
10.75 | 186.47 | Andon, Counsell, et al., 1968 | DH |
10.82 | 186.48 | Sinke and Oetting, 1964 | DH |
10.90 | 186.1 | Parks, Kennedy, et al., 1956 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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
By formula: C4H9O+ + C4H8O = (C4H9O+ • C4H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.9 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.2 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
By formula: C5H11O+ + C4H8O = (C5H11O+ • C4H8O)
Bond type: Hydrogen bonds of the type OH-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 29.5 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.4 | cal/mol*K | N/A | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 20.7 | kcal/mol | ICR | Larson and McMahon, 1982 | gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986; M |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.2 ± 2.8 | kcal/mol | G+TS | Chyall, Brickhouse, et al., 1994 | gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B |
ΔrH° | 369.2 ± 2.4 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.4 ± 2.6 | kcal/mol | IMRE | Chyall, Brickhouse, et al., 1994 | gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B |
ΔrG° | 362.4 ± 2.6 | kcal/mol | H-TS | Zimmerman, Reed, et al., 1977 | gas phase; B |
By formula: C3H9Sn+ + C4H8O = (C3H9Sn+ • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.3 | kcal/mol | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.8 | cal/mol*K | N/A | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.1 | 525. | PHPMS | Stone and Splinter, 1984 | gas phase; switching reaction((CH3)3Sn+)CH3OH, Entropy change calculated or estimated; M |
By formula: CH6N+ + C4H8O = (CH6N+ • C4H8O)
Bond type: Hydrogen bonds of the type NH+-O between organics
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.2 | kcal/mol | PHPMS | Meot-Ner, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Meot-Ner, 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
11.4 | 553. | PHPMS | Meot-Ner, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: Cl- + C4H8O = (Cl- • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.8 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.0 | cal/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)(CH3)2CO, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1984 | gas phase; B,M |
By formula: H2 + C4H8O = C4H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.95 | kcal/mol | Eqk | Buckley and Herington, 1965 | gas phase; ALS |
ΔrH° | -13.0 ± 0.1 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -13.2 ± 0.1 kcal/mol; At 355 °K; ALS |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.0 ± 4.0 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | <409.00 | kcal/mol | CIDT | Graul and Squires, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 393.5 ± 4.1 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
By formula: NO- + C4H8O = (NO- • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.2 | kcal/mol | ICR | Reents and Freiser, 1981 | gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 368.1 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 361.3 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
(CAS Reg. No. 35730-33-7 • 4294967295) +
= CAS Reg. No. 35730-33-7
By formula: (CAS Reg. No. 35730-33-7 • 4294967295C4H8O) + C4H8O = CAS Reg. No. 35730-33-7
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 39.2 ± 2.2 | kcal/mol | N/A | Taft, 1987 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C4H10O = H2 + C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.96 | kcal/mol | Eqk | Cubberley and Mueller, 1946 | gas phase; ALS |
ΔrH° | 13.664 | kcal/mol | Eqk | Kolb and Burwell, 1945 | gas phase; ALS |
By formula: Mg+ + C4H8O = (Mg+ • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68. | kcal/mol | ICR | Operti, Tews, et al., 1988 | gas phase; switching reaction,Thermochemical ladder(CH3OH); M |
By formula: C6H14O2 + H2O = 2CH4O + C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.62 ± 0.01 | kcal/mol | Cm | Wiberg and Squires, 1979 | liquid phase; Heat of hydrolysis; ALS |
By formula: HI + C4H7IO = I2 + C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.2 | kcal/mol | Kin | Solly, Golden, et al., 1970 | gas phase; ALS |
By formula: H2 + C4H6O = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -131.6 | kcal/mol | Chyd | Veselova and Sul'man, 1980 | liquid phase; ALS |
By formula: Na+ + C4H8O = (Na+ • C4H8O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 31.3 ± 1.7 | kcal/mol | CIDT | Moision and Armentrout, 2002 | RCD |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
20. | 5000. | L | N/A | |
20. | 5000. | M | N/A | The data from Table 1 by missing citation was used to redo the regression analysis. The data for acetone in their Table 2 is wrong. |
7.7 | X | N/A | Value given here as cited in missing citation. | |
6.8 | -5200. | X | N/A | |
4.1 to 7.7 | X | Howe, Mullins, et al., 1987 | Value given here as quoted by missing citation. | |
7.1 | 5800. | X | N/A | |
18. | 5700. | M | N/A | |
10. | M | N/A | Value at T = 303. K. | |
18. | M | N/A | ||
17. | X | N/A | Value given here as quoted by missing citation. | |
19. | M | N/A | ||
21. | M | Buttery, Ling, et al., 1969 | ||
7.1 | R | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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
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 C4H8O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.52 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 197.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 190.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.000999 | EFD | Desfrancois, Abdoul-Carime, et al., 1994 | EA: 1.0 meV. Dipole-bound state.; B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.52 | PI | Traeger, 1985 | LBLHLM |
9.7 | EI | McAdoo and Hudson, 1983 | LBLHLM |
9.52 | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
9.529 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
9.53 ± 0.01 | PE | Mouvier and Hernandez, 1975 | LLK |
9.54 ± 0.03 | EI | Mouvier and Hernandez, 1975 | LLK |
9.52 | PE | Tam, Yee, et al., 1974 | LLK |
9.54 ± 0.01 | PI | Potapov and Sorokin, 1972 | LLK |
9.54 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.51 | PE | Dewar and Worley, 1969 | RDSH |
9.48 ± 0.02 | PI | Murad and Inghram, 1964 | RDSH |
9.53 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.54 ± 0.03 | PI | Vilesov, 1960 | RDSH |
9.5 ± 0.1 | PI | Hurzeler, Inghram, et al., 1958 | RDSH |
9.55 ± 0.03 | PI | Vilesov and Terenin, 1957 | RDSH |
9.46 | PE | Olivato, Guerrero, et al., 1984 | Vertical value; LBLHLM |
9.49 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
9.56 | PE | Kimura, Katsumata, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3+ | 15.49 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
C2H3O+ | 10.32 | C2H5 | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
C2H3O+ | 10.69 | C2H5 | EI | Mouvier and Hernandez, 1975 | LLK |
C2H3O+ | 10.30 ± 0.05 | C2H5 | PI | Potapov and Sorokin, 1972 | LLK |
C2H3O+ | 10.97 | C2H5 | EI | Potzinger and Bunau, 1969 | RDSH |
C2H3O+ | 10.3 | C2H5 | PI | Murad and Inghram, 1964 | RDSH |
C2H5+ | 12.88 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
C3H5O+ | 9.90 | CH3 | PI | Traeger, 1985 | LBLHLM |
C3H5O+ | 10.15 ± 0.05 | CH3 | PI | Potapov and Sorokin, 1972 | LLK |
C3H5O+ | 10.60 | CH3 | EI | Potzinger and Bunau, 1969 | RDSH |
C3H5O+ | 10.18 | CH3 | PI | Murad and Inghram, 1964, 2 | RDSH |
De-protonation reactions
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.2 ± 2.8 | kcal/mol | G+TS | Chyall, Brickhouse, et al., 1994 | gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B |
ΔrH° | 369.2 ± 2.4 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.4 ± 2.6 | kcal/mol | IMRE | Chyall, Brickhouse, et al., 1994 | gas phase; Primary and secondary sites are of equal acidity by equilibration. Acidity from Zimmerman, Reed, et al., 1977; B |
ΔrG° | 362.4 ± 2.6 | kcal/mol | H-TS | Zimmerman, Reed, et al., 1977 | gas phase; B |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 401.0 ± 4.0 | kcal/mol | CIDT | Graul and Squires, 1990 | gas phase; B |
ΔrH° | <409.00 | kcal/mol | CIDT | Graul and Squires, 1988 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 393.5 ± 4.1 | kcal/mol | H-TS | Graul and Squires, 1990 | gas phase; B |
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 368.1 ± 2.9 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 361.3 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (23 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1300, 10% IN CS2 FOR 1300-650, AND 10% CCl4 FOR 650-250 CM-1) VERSUS SOLVENT; PERKIN-ELMER 521 (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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Vibrational and/or electronic energy levels, 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 | CARL DJERASSI DEPT OF CHEM STANFORD UNIV STANFORD CALIF 94305 |
NIST MS number | 50206 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: Takehiko Shimanouchi
Trans form Symmetry: Cs Symmetry Number σ = 1
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a' | 1 | CH3(1) d-str | 2983 | D | 2983 S | liq. | 2983 M | liq. | OV(ν2,ν21,ν22) | |
a' | 2 | CH3(4) d-str | 2983 | D | 2983 S | liq. | 2983 M | liq. | OV(ν1,ν21,ν22) | |
a' | 3 | CH3(1) s-str | 2910 | D | 2910 S | liq. | 2924 S p | liq. | OV(ν4) | |
a' | 4 | CH3(4) s-str | 2910 | D | 2910 S | liq. | 2924 S p | liq. | OV(ν3) | |
a' | 5 | CH2 s-str | 2884 | D | 2884 S | liq. | ||||
a' | 6 | CO str | 1716 | C | 1716 S | sln. | 1715 M p | liq. | ||
a' | 7 | CH3(4) d-deform | 1460 | D | 1460 M | sln. | 1450 M | liq. | OV(ν24) | |
a' | 8 | CH2 scis | 1422 | C | 1422 S | sln. | 1419 M | liq. | ||
a' | 9 | CH3(1) d-deform | 1413 | D | 1413 S | sln. | OV(ν25) | |||
a' | 10 | CH3(4) s-deform | 1373 | C | 1373 S | sln. | ||||
a' | 11 | CH3(1) s-deform | 1346 | C | 1346 S | sln. | 1345 W | liq. | ||
a' | 12 | CH2 wag | 1263 | D | 1263 W | sln. | 1258 W | liq. | OV(ν26) | |
a' | 13 | CC(12) str | 1182 | C | 1182 S | sln. | 1169 W | liq. | ||
a' | 14 | CH3(4) rock | 1089 | C | 1089 M | sln. | 1087 M p | liq. | ||
a' | 15 | CC(34) str | 997 | C | 997 | sln. | 999 W | liq. | ||
a' | 16 | CH3(1) rock | 939 | C | 939 | sln. | 751 W | liq. | ||
a' | 17 | CC(23) str | 760 | D | 760 S | liq. | 760 M p | liq. | ||
a' | 18 | CO ip-bend | 590 | C | 590 S | sln. | 591 W | liq. | ||
a' | 19 | CCC(123) deform | 413 | C | 413 S | sln. | 410 W | liq. | ||
a' | 20 | CCC(234) deform | 260 | C | 260 S | sln. | 264 W | liq. | ||
a | 21 | CH3(1) d-str | 2983 | D | 2983 S | liq. | 2983 | liq. | OV(ν1,ν2,ν22) | |
a | 22 | CH3(4) d-str | 2983 | D | 2983 S | liq. | 2983 | liq. | OV(ν1,ν2,ν21) | |
a | 23 | CH2 d-str | 2941 | D | 2941 S | liq. | ||||
a | 24 | CH3(4) d-deform | 1460 | D | 1460 M | sln. | 1450 M | liq. | OV(ν7) | |
a | 25 | CH3(1) d-deform | 1413 | D | 1413 S | sln. | OV(ν9) | |||
a | 26 | CH2 twist | 1263 | D | 1263 W | sln. | 1258 W | liq. | OV(ν12) | |
a | 27 | CH3(4) rock | 1108 | C | 1108 W | sln. | ||||
a | 28 | CH3(1) rock | 952 | C | 952 sh | sln. | 951 W | liq. | ||
a | 29 | CH2 rock | 768 | D | 768 S | liq. | ||||
a | 30 | CO op-bend | 460 | C | 460 VW | sln. | ||||
a | 31 | CC(34) torsion | 201 | E | CF | |||||
a | 32 | CC(12) torsion | 106 | E | CF | |||||
a | 33 | CC(23) torsion | 87 | C | 87 W | sln. | ||||
Source: Shimanouchi, 1972
Notes
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
sh | Shoulder |
p | Polarized |
CF | Calculated frequency |
OV | Overlapped by band indicated in parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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 |
---|---|---|---|---|---|
Packed | PMS-1000 | 90. | 549. | Arutyunov, Kudryashov, et al., 2004 | N2, Chromaton N-AW-DMCS; Column length: 2. m |
Capillary | DB-1 | 313. | 575.92 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 323. | 574.45 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 333. | 572.75 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 343. | 572.34 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 353. | 571.45 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 363. | 572.61 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 373. | 572.88 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 383. | 573.87 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 393. | 575.19 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 403. | 576.69 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 413. | 578.90 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-1 | 423. | 581.30 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 313. | 603.27 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 323. | 602.14 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 333. | 601.20 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 343. | 599.13 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 353. | 596.14 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 363. | 598.30 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 373. | 601.92 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 383. | 602.60 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 393. | 603.82 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Capillary | DB-5 | 403. | 605.54 | Ciaznska-Halarewicz and Kowalska, 2003 | 30. m/0.32 mm/1. μm |
Packed | OV-1 | 130. | 597. | Gurevich and Roshchina, 2003 | He or N2, Gas-Chrom Q |
Capillary | DB-1 | 50. | 578.66 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-1 | 75. | 578.89 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-1 | 100. | 570.79 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-1 | 125. | 538.30 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 50. | 607.25 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 75. | 598.20 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 100. | 609.38 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-5 | 125. | 548.59 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | HP-1 | 110. | 575.77 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 20. | 575.3 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 575.0 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 40. | 574.9 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 574.71 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 60. | 574.8 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 574.97 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 574.76 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 110. | 576. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 575. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 575. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 575. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | SE-30 | 100. | 585. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 110. | 587. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 582. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 90. | 583. | Golovnya, Syomina, et al., 1997 | 25. m/0.32 mm/1. μm, He |
Packed | Porapack Q | 200. | 570. | Gawdzik and Matynia, 1994 | H2; Column length: 1. m |
Packed | C78, Branched paraffin | 130. | 537.5 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | SE-54 | 110. | 597.8 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 598.0 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 599.6 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | PoraPLOT Q | 200. | 580. | de Zeeuw, de Nijs, et al., 1988 | H2; Column length: 25. m; Column diameter: 0.53 mm |
Capillary | PoraPLOT Q | 200. | 581. | de Zeeuw, de Nijs, et al., 1988 | H2; Column length: 25. m; Column diameter: 0.53 mm |
Packed | Squalane | 80. | 538. | Fernández-Sánchez, García-Domínguez, et al., 1987 | H2 |
Capillary | Apiezon L + KF | 60. | 591. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Packed | SE-30 | 150. | 580. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | Apolane | 100. | 541. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Apolane | 200. | 542. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 100. | 533. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 125. | 534. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | Squalane | 200. | 544. | Castello and D'Amato, 1983 | He, Chromosorb G; Column length: 3. m |
Packed | SE-30 | 100. | 579. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Porapack Q | 200. | 556. | Goebel, 1982 | N2 |
Packed | Triacontane | 80. | 543. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 557. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 100. | 552.3 | Gröbler and Bálizs, 1979 | Column length: 1. m |
Packed | SE-30 | 150. | 574. | Haken, Nguyen, et al., 1979 | Celatom AW silanized; Column length: 3.7 m |
Packed | Apiezon L | 120. | 552. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 553. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 130. | 551. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | SE-30 | 150. | 569. | Haken, Ho, et al., 1975 | Column length: 3.7 m |
Packed | Squalane | 50. | 533. | Mira and Sanchez, 1970 | Chromosorb G |
Packed | Apiezon L | 100. | 551. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Apiezon L | 150. | 554. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | DC-200 | 120. | 590. | Reymond, Mueggler-Chavan, et al., 1966 | Celite; Column length: 4. m |
Packed | SE-30 | 80. | 575. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
Packed | Apiezon L | 130. | 551. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 547. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 130. | 548. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Packed | Apiezon L | 70. | 549. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-1 | 554. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | SE-54 | 602. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | OV-101 | 543. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 543. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 582.7 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 40. | 917.39 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 50. | 922.33 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 60. | 925.59 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 70. | 928.27 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 80. | 931.34 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 90. | 935.77 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 100. | 940.31 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 110. | 943.44 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 120. | 946.71 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 130. | 949.95 | Ciaznska-Halarewicz and Kowalska, 2003 | Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-Wax | 75. | 937.60 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-Wax | 100. | 938.60 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | DB-Wax | 125. | 947.76 | Ciazynska-Halarewicz, Borucka, et al., 2002 | 30. m/0.32 mm/1. μm, He |
Capillary | HP-Innowax | 110. | 932.3 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 919.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 923.7 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 927.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | Supelcowax-10 | 60. | 919. | Castello, Vezzani, et al., 1991 | N2; Column length: 60. m; Column diameter: 0.75 mm |
Packed | Carbowax 20M | 75. | 930. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 905. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 881. | Shimoda and Shibamoto, 1990 | He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C |
Capillary | DB-Wax | 900. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 900. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | DB-Wax | 893. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Packed | PEG-20M | 908. | Galt and MacLeod, 1984 | N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PEG-20M | 891. | Slizhov and Gavrilenko, 2001 | He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified |
Capillary | Supelcowax-10 | 923.3 | Castello, Timossi, et al., 1988 | N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 622. | Bylaite and Meyer, 2006 | 30. m/0.25 mm/1. μm, 50. C @ 1. min, 10. K/min, 290. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 600. | Elmore, Cooper, et al., 2005 | 0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | HP-5 | 601. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | HP-5 | 605. | Solina, Baumgartner, et al., 2005 | 25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C |
Capillary | CP-Sil 8CB-MS | 604. | 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 | HP-5 | 597. | Siegmund and Murkovic, 2004 | 30. m/0.25 mm/0.1 μm, -30. C @ 1. min, 10. K/min, 250. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 602. | 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 | 581.6 | 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 | HP-5 | 596. | Isidorov, Vinogorova, et al., 2003 | 25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 150. C |
Capillary | CP Sil 5 CB | 560. | 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 | 594.7 | 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 | CP Sil 8 CB | 605. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | CP Sil 8 CB | 605. | Elmore, Campo, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | CP Sil 8 CB | 606. | Oruna-Concha, Ames, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 604. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 604. | Bruna, Hierro, et al., 2001 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | SPB-1 | 569. | Larráyoz, Addis, et al., 2001 | 30. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min |
Capillary | CP Sil 8 CB | 602. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | SPB-5 | 600. | Verdier-Metz., Coulon, et al., 1998 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 200. C @ 2. min |
Capillary | DB-5 | 603. | Madruga and Mottram, 1998 | 30. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-1 | 575. | Bartelt, 1997 | 30. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C |
Capillary | DB-1 | 577. | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
Capillary | OV-101 | 585. | Misharina, Golovnya, et al., 1992 | 50. m/0.31 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 572. | Zhang and Ho, 1991 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Capillary | DB-5 | 579. | Guichard and Souty, 1988 | H2, 30. C @ 5. min, 1.5 K/min; Column length: 0.32 m; Column diameter: 1. mm; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 570. | Place, Imhof, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
Capillary | HP-5 | 601. | 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) |
Capillary | CP Sil 8 CB | 611. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Packed | SE-30 | 576. | 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 | CP-Wax 52CB | 897. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 903. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-Wax | 905. | 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 | 926. | 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 | 912.7 | 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 | CP-Wax 52CB | 885. | Liu, Yang, et al., 2001 | H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 200. C |
Capillary | DB-Wax | 915. | Beauchene, Grua-Priol, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 3. K/min, 160. C @ 5. min; Tstart: 30. C |
Capillary | DB-Wax | 894. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Capillary | FFAP | 908. | 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 | 888. | Shimoda, Peralta, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 875. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 905. | Iwaoka, Hagi, et al., 1994 | He, 40. C @ 5. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 900. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | CP-WAX 57CB | 893. | Baltes and Mevissen, 1988 | He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C |
Packed | Carbowax 20M | 882. | van den Dool and Kratz, 1963 | Celite 545, 4.6 K/min; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 905. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
Capillary | Supelcowax-10 | 901. | 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 | 907. | 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 | 905. | 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 | 908. | 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 | CP-Wax 52CB | 903. | Verzera, Ziino, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C |
Capillary | DB-Wax | 904. | 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 | 882. | 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 | Polydimethyl siloxane | 105. | 577. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 576. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 577. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 575. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 580. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 577. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 576. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | DB-1 | 60. | 578. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Capillary | OV-1 | 60. | 575. | Amboni, Junkes, et al., 2002 | |
Packed | Synachrom | 150. | 555. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 559. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | DC-400 | 150. | 560. | 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 |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 573. | 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 | HP-5 MS | 602. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | VF-5 MS | 592. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 592. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | OV-101 | 578. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | OV-101 | 578. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | 5 % Phenyl methyl siloxane | 600. | Ramirez R. and Cava R., 2007 | 30. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | SPB-5 | 598. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | SPB-5 | 598. | 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 | 591. | Isidorov, Purzynska, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | HP-5 | 601.8 | 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 | 589. | 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 | 5 % Phenyl methyl siloxane | 597. | Ramírez, Estévez, et al., 2004 | 0. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | DB-5 | 600. | Joffraud, Leroi, et al., 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Capillary | HP-5 | 600. | 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 | 571. | 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 | 569. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Methyl Silicone | 570.06 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | SE-54 | 604. | Ding, Deng, et al., 1998 | 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tend: 250. C |
Capillary | DB-1 | 575. | Robacker and Bartelt, 1997 | 30. m/0.32 mm/0.5 μm, He, 35. C @ 1. min, 10. K/min; Tend: 200. C |
Capillary | SE-54 | 613. | Bellesia, Pinetti, et al., 1996 | 25. m/0.2 mm/0.5 μm, He, 35. C @ 2. min, 5. K/min; Tend: 250. C |
Capillary | HP-5 | 603. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | DB-1 | 564. | Yu and Ho, 1995 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 576. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Capillary | DB-5 | 592. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | DB-1 | 570. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | OV-101 | 572. | 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 | SF96+Igepal | 575. | Lorenz, Stern, et al., 1983 | 45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C |
Capillary | SF96+Igepal | 577. | Lorenz, Stern, et al., 1983 | 45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C |
Capillary | SE-30 | 580. | Alves and Jennings, 1979 | Helium, 2. K/min; Tstart: 70. C; Tend: 170. C |
Capillary | SF-96 | 580. | 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 | 622. | Fang, Pu, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C |
Capillary | HP-5 MS | 602. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 583. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | HP-5 | 603. | 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 | Squalane | 569. | Chen, 2008 | Program: not specified |
Capillary | HP-5 | 597. | Ventanas, Estevez, et al., 2008 | 50. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) |
Capillary | Methyl Silicone | 551. | Chen and Feng, 2007 | Program: not specified |
Capillary | DB-5 MS | 600. | Liu, Xu, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min) |
Capillary | BPX-5 | 600. | van Ruth, Floris, et al., 2006 | 60. m/0.32 mm/1. μm, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C |
Capillary | Methyl Silicone | 577. | 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 | BPX-5 | 604. | Duflos, Moine, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
Capillary | HP-5 | 590. | Thierry, Maillard, et al., 2005 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | HP-5 | 598. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 598. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | HP-1 | 575. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | BPX-5 | 606. | Machiels, Istasse, et al., 2004 | 60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) |
Capillary | SE-30 | 579. | Vinogradov, 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 575. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | RTX-5 MS | 601. | Machiels and Istasse, 2003 | 60. m/0.25 mm/0.5 μm, He; Program: 35C (3min) => 10C/min => 50C => 4C/min => 200C => 50C/min => 250C (10min) |
Capillary | DB-5MS | 590. | Young, Lane, et al., 2003 | 30. m/0.25 mm/1. μm; Program: 50C => 3C/min => 160C => 6C/min => 250C => 25C/min => 325C |
Capillary | Methyl phenyl siloxane (not specified) | 596. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | Methyl Silicone | 551. | N/A | Program: not specified |
Capillary | CP Sil 8 CB | 612. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | BPX-5 | 582. | van Ruth, Grossmann, et al., 2001 | 60. m/0.32 mm/1. μm, He; Program: -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C |
Capillary | Polydimethyl siloxane | 591. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Capillary | CP-Sil5 CB MS | 578. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Capillary | DB-5 | 589. | Young and Baumeister, 1999 | 30. m/0.53 mm/1. μm; Program: -40C(10min) => 70C/min => 40C(5min) => 3C/min => 180C => 6C/min => 280C(5min) |
Capillary | SE-54 | 600. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | SE-54 | 604. | Ding, Deng, et al., 1998 | Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | SPB-1 | 572. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 578. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 578. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Methyl Silicone | 578. | Misharina, 1995 | Program: not specified |
Capillary | DB-1 | 570. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 570. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | SPB-1 | 572. | 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 | 579. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 559. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 560. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | CP Sil 8 CB | 598. | 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 | 575. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | methyl silicone oil with 5% Igepal | 577. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | DB-1 | 567. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | DB-1 | 568. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | SE-30 | 552. | P'yanova, Zvereva, et al., 1987 | Column length: 25. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | OV-101 | 579. | Shibamoto, 1987 | Program: not specified |
Capillary | SF96+Igepal | 580. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 579. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 579. | Ramsey and Flanagan, 1982 | Program: not specified |
Capillary | SE-30 | 575. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 924. | 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 | HP-FFAP | 914. | Wanakhachornkrai and Lertsiri, 9999 | 25. m/0.32 mm/0.50 μm, Helium, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | HP-Innowax | 908. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 3. K/min, 220. C @ 5. min |
Capillary | ZB-Wax | 918. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
Capillary | CP-Wax 52CB | 893. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 906. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 906. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 906. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | DB-Wax | 918. | Qian and Wang, 2005 | 60. m/0.32 mm/0.50 μm, Nitrogen, 35. C @ 4. min, 2. K/min, 235. C @ 30. min |
Capillary | DB-Wax | 945. | Rizzolo, Cambiaghi, et al., 2005 | 60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C |
Capillary | Supelcowax-10 | 920. | Rochat and Chaintreau, 2005 | 60. m/0.53 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 240. C @ 20. min |
Capillary | TC-Wax | 907. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Capillary | DB-Wax | 899. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 901. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | HP-FFAP | 914. | Wanakhachornkrai and Lertsiri, 2003 | 25. m/0.32 mm/0.5 μm, He, 15. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | FFAP | 888. | Lecanu, Ducruet, et al., 2002 | 30. m/0.32 mm/1. μm, He, 35. C @ 3. min, 5. K/min; Tend: 240. C |
Capillary | HP-Wax | 866. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | TC-Wax | 901. | 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 | HP-Wax | 866. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 866. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | Supelcowax-10 | 906. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 912. | Tamura, Boonbumrung, et al., 2000 | Nitrogen, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | DB-Wax | 890. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | DB-Wax | 923. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 911. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 953. | Molleken U., Sinnwell V., et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 3. K/min; Tstart: 45. C; Tend: 220. C |
Capillary | DB-Wax | 912. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 888. | Kawakami, Kobayashi, et al., 1993 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 888. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 889. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 903. | Welke, Manfroi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax | 910. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 894. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/0.50 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | CP-Wax 52 CB | 906. | Povolo, Cabassi, et al., 2011 | Program: not specified |
Capillary | HP-Innowax | 909. | Xiao, Dai, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) |
Capillary | Supelcowax 10 | 882. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | Supelcowax-10 | 901. | 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 | 907. | 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 | 909. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
Capillary | DB-Wax | 908. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
Capillary | HP-Innowax | 894. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 875. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax-10 | 881. | Kourkoutas, Bosnea, et al., 2006 | 60. m/0.32 mm/0.25 μm, He; Program: 35C(3min) => 5C/min => 110C => 10C/min => 240C (10min) |
Capillary | Innowax | 920. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 904. | 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 | 908. | Vinogradov, 2004 | Program: not specified |
Capillary | CP-Wax 52CB | 908. | Muresan, Eillebrecht, et al., 2000 | 50. m/0.32 mm/1.2 μm; Program: 40C(10min) => 3C/min => 190C => 10C/min => 250C(5min) |
Capillary | Carbowax 20M | 908. | Shibamoto, 1987 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 930. | 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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