2-Butanone, 3-methyl-
- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChIKey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N
- CAS Registry Number: 563-80-4
- 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: Isopropyl methyl ketone; Ketone, isopropyl methyl; Methyl butanone-2; Methyl isopropyl ketone; 3-Methyl-2-butanone; iso-C3H7COCH3; 2-Acetylpropane; 3-Methylbutan-2-one; MIPK; UN 2397; 2-Methylbutan-3-one; NSC 9379; methylbutanone; 3-Methyl-2-butanoate; 3-methylbutanone
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -62.76 ± 0.21 | kcal/mol | Ccb | Harrop, Head, et al., 1970 | ALS |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
33.360 | 358.15 | Hales J.L., 1967 | GT |
35.091 | 383.15 | ||
36.869 | 408.15 | ||
38.540 | 433.15 | ||
39.859 | 453.15 | ||
41.130 | 473.15 |
Condensed phase thermochemistry data
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 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 | -71.58 ± 0.21 | kcal/mol | Ccb | Harrop, Head, et al., 1970 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -740.3 ± 0.2 | kcal/mol | Ccb | Harrop, Head, et al., 1970 | Corresponding ΔfHºliquid = -71.575 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 64.17 | cal/mol*K | N/A | Andon, Counsell, et al., 1968 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.02 | 298.15 | Harrop, Head, et al., 1970 | DH |
43.00 | 298.15 | Andon, Counsell, et al., 1968 | T = 10 to 320 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
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 | 367. ± 2. | K | AVG | N/A | Average of 40 out of 41 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 178.75 | K | N/A | Mears, Fookson, et al., 1950 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 181.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 180.01 | K | N/A | Andon, Counsell, et al., 1968, 2 | Uncertainty assigned by TRC = 0.06 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 553.1 | K | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 553.4 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 553.4 | K | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.83 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.50 | atm | N/A | Quadri and Kudchadker, 1991 | Uncertainty assigned by TRC = 0.20 atm; TRC |
Pc | 38.00 | atm | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.477 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.23 | mol/l | N/A | Kobe, Crawford, et al., 1955 | Uncertainty assigned by TRC = 0.29 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.812 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.798 | kcal/mol | V | Uchytilova, Majer, et al., 1983 | ALS |
ΔvapH° | 8.80 | kcal/mol | C | Uchytilova, Majer, et al., 1983 | AC |
ΔvapH° | 8.82 | kcal/mol | N/A | Ambrose, Ellender, et al., 1975 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.732 | 367.4 | N/A | Majer and Svoboda, 1985 | |
8.48 | 326. | A | Stephenson and Malanowski, 1987 | Based on data from 311. to 369. K.; AC |
8.08 | 378. | A | Stephenson and Malanowski, 1987 | Based on data from 363. to 415. K.; AC |
7.79 | 420. | A | Stephenson and Malanowski, 1987 | Based on data from 405. to 500. K.; AC |
8.37 | 343. | A | Stephenson and Malanowski, 1987 | Based on data from 328. to 377. K. See also Ambrose, Ellender, et al., 1975.; AC |
8.37 ± 0.02 | 327. | C | Hales, Lees, et al., 1967 | AC |
8.08 ± 0.02 | 346. | C | Hales, Lees, et al., 1967 | AC |
7.72 ± 0.02 | 367. | C | Hales, Lees, et al., 1967 | 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 368. | 12.88 | 0.2911 | 553.4 | 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 |
---|---|---|---|---|---|
253.3 to 362.1 | 5.61988 | 1806.925 | -40.618 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.233 | 180.01 | Andon, Counsell, et al., 1968 | DH |
2.23 | 180. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.40 | 180.01 | Andon, Counsell, et al., 1968 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
C5H9O- + =
By formula: C5H9O- + H+ = C5H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 369.3 ± 2.7 | kcal/mol | G+TS | Chyall, Brickhouse, et al., 1994 | gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 362.8 ± 2.5 | kcal/mol | IMRE | Chyall, Brickhouse, et al., 1994 | gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol; B |
C5H9O- + =
By formula: C5H9O- + H+ = C5H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.3 ± 2.2 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; Structure assignment revised to less-substituted site: Chyall, Brickhouse, et al., 1994; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.5 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; Structure assignment revised to less-substituted site: Chyall, Brickhouse, et al., 1994; B |
(CAS Reg. No. 60375-60-2 • 4294967295) +
= CAS Reg. No. 60375-60-2
By formula: (CAS Reg. No. 60375-60-2 • 4294967295C5H10O) + C5H10O = CAS Reg. No. 60375-60-2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 40.3 ± 2.1 | kcal/mol | N/A | Haas and Harrison, 1993 | gas phase; Both metastable and 50 eV collision energy.; B |
ΔrH° | 40.2 ± 2.9 | kcal/mol | Ther | Boand, Houriet, et al., 1983 | gas phase; value altered from reference due to change in acidity scale; B |
By formula: C7H16O2 + H2O = C5H10O + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.86 ± 0.01 | kcal/mol | Cm | Wiberg and Squires, 1979 | liquid phase; Heat of hydrolysis; ALS |
By formula: C5H12O = H2 + C5H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 0.38 | kcal/mol | Eqk | Connett, 1970 | gas phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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
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 C5H10O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.31 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 199.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 192.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.298 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
9.30 ± 0.01 | PE | Mouvier and Hernandez, 1975 | LLK |
9.30 ± 0.04 | EI | Mouvier and Hernandez, 1975 | LLK |
9.36 | PE | Tam, Yee, et al., 1974 | LLK |
9.30 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.30 ± 0.02 | PI | Murad and Inghram, 1964 | RDSH |
9.32 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3O+ | 10.68 | ? | EI | Mouvier and Hernandez, 1975 | LLK |
C2H3O+ | 10.4 | iso-C3H7 | PI | Murad and Inghram, 1964 | RDSH |
C4H7O+ | 9.9 | ? | EI | Mouvier and Hernandez, 1975 | LLK |
C4H7O+ | 9.94 | CH3 | PI | Murad and Inghram, 1964 | RDSH |
De-protonation reactions
C5H9O- + =
By formula: C5H9O- + H+ = C5H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 369.3 ± 2.7 | kcal/mol | G+TS | Chyall, Brickhouse, et al., 1994 | gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 362.8 ± 2.5 | kcal/mol | IMRE | Chyall, Brickhouse, et al., 1994 | gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol; B |
C5H9O- + =
By formula: C5H9O- + H+ = C5H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.3 ± 2.2 | kcal/mol | G+TS | Cumming and Kebarle, 1978 | gas phase; Structure assignment revised to less-substituted site: Chyall, Brickhouse, et al., 1994; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.5 ± 2.0 | kcal/mol | IMRE | Cumming and Kebarle, 1978 | gas phase; Structure assignment revised to less-substituted site: Chyall, Brickhouse, et al., 1994; B |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61712 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | OV-1 | 333. | 640.9 | Hu, Lu, et al., 2006 | |
Capillary | HP-1 | 110. | 642.78 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 639.36 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 639.89 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 640.49 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 641.53 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 110. | 643. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 640. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 640. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 642. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Packed | SE-30 | 100. | 646. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Packed | Apiezon L | 130. | 627. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 650. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-Innowax | 110. | 965.0 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 949.4 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 954.4 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 959.6 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 647.2 | 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 | DB-1 | 636. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 673. | Owens J.D., Allagheny N., et al., 1997 | 50. m/0.32 mm/0.5 μm, He; Program: OC => 60C/min => 60C(5min) => 4C/min => 250C(20min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax | 943.2 | 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 | DB-Wax | 929. | 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 | 936. | Shimoda, Shiratsuchi, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | Supelcowax-10 | 929. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 929. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 918. | 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) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 60. | 640. | Amboni, Junkes, et al., 2002 | |
Packed | Apieson L | 120. | 625. | Kurdina, Markovich, et al., 1969 | not specified, not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 641. | Zenkevich, Eliseenkov, et al., 2011 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | SPB-5 | 657. | Sivadier, Ratel, et al., 2009 | 60. m/0.32 mm/1.00 μm, 40. C @ 5. min, 3. K/min, 230. C @ 10. min |
Capillary | HP-5 | 666.1 | 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 | RSL-200 | 628. | Ngassoum, Jirovetz, et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Capillary | DB-1 | 638. | Chen and Ho, 1999 | 60. m/0.32 mm/1. μm, He, 2. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-1 | 659. | Lu, Yu, et al., 1997 | 60. m/0.32 mm/1. μm, He, 40. C @ 2. min, 2. K/min, 280. C @ 40. min |
Capillary | HP-5 | 654. | Larsen and Frisvad, 1995 | 35. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | OV-101 | 628. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 639. | 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 | 637. | 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 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 658. | 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 | 641. | Feng and Mu, 2007 | Program: not specified |
Capillary | HP-5 | 653. | Thierry, Maillard, et al., 2005 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | HP-1 | 640. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 640. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Methyl Silicone | 641. | Estrada and Gutierrez, 1999 | Program: not specified |
Capillary | SPB-1 | 642. | 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 | 641. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-1 | 635. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 636. | 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 | 642. | 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 | 650. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | SE-30 | 647. | P'yanova, Zvereva, et al., 1987 | Column length: 25. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 651. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 650. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 929. | Choi, 2004 | 60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min |
Capillary | DB-Wax | 925. | 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 | 927. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | Supelcowax-10 | 989. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | CP-Wax 52CB | 956. | Hwan and Chou, 1999 | 50. m/0.32 mm/0.22 μm, H2, 60. C @ 4. min, 2. K/min, 190. C @ 21. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SOLGel-Wax | 929. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min) |
Capillary | SOLGel-Wax | 929. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 970. | Gyawalia, Seo, et al., 2006 | 60. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C |
Capillary | Innowax | 949. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | Carbowax 20M | 936. | 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, Gas phase ion energetics data, 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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Hwan, C.-H.; Chou, C.-C.,
Volatile components of the Chinese fermented soya bean curd as affected by the addition of ethanol in ageing solution,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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 IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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 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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