Acetic acid, methyl ester
- Formula: C3H6O2
- Molecular weight: 74.0785
- IUPAC Standard InChIKey: KXKVLQRXCPHEJC-UHFFFAOYSA-N
- CAS Registry Number: 79-20-9
- 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: Methyl acetate; Devoton; Tereton; CH3COOCH3; Methyl ethanoate; Acetate de methyle; Methyl acetic ester; Methylacetaat; Methylacetat; Methyle (acetate de); Methylester kiseliny octove; Metile (acetato di); Ethyl ester of monoacetic acid; UN 1231; Methyl ester of acetic acid; NSC 405071
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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 330.0 ± 0.9 | K | AVG | N/A | Average of 50 out of 55 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 175.15 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 175.1 | K | N/A | Timmermans, 1911 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 174.90 | K | N/A | Okamoto, Oguni, et al., 1992 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 510. ± 30. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 46.88 | atm | N/A | Ambrose, Ellender, et al., 1981 | Uncertainty assigned by TRC = 0.0468 atm; Visual; TRC |
Pc | 46.33 | atm | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.8000 atm; TRC |
Pc | 46.329 | atm | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.39 atm; TRC |
Pc | 47.54 | atm | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.99995 atm; TRC |
Pc | 57.64 | atm | N/A | Sajots, 1879 | Uncertainty assigned by TRC = 6.0000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.394 | mol/l | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 4.32 | mol/l | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.08 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 7.9 ± 0.9 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.247 | 330.1 | N/A | Majer and Svoboda, 1985 | |
8.15 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 260. to 351. K.; AC |
7.98 | 289. | A | Stephenson and Malanowski, 1987 | Based on data from 274. to 329. K. See also Polák and Mertl, 1965 and Dykyj, 1970.; AC |
7.60 | 323. | DTA | Meyer, Awe, et al., 1980 | Based on data from 308. to 338. K.; AC |
7.05 ± 0.02 | 343. | C | Svoboda, Uchytilová, et al., 1980 | AC |
7.70 ± 0.02 | 304. | C | Svoboda, Veselý, et al., 1977 | AC |
7.55 ± 0.02 | 313. | C | Svoboda, Veselý, et al., 1977 | AC |
7.29 ± 0.02 | 328. | C | Svoboda, Veselý, et al., 1977 | AC |
7.24 ± 0.02 | 331. | C | Svoboda, Veselý, et al., 1977 | AC |
7.77 | 295. | N/A | Connett, Counsell, et al., 1976 | AC |
7.22 | 330. | N/A | Connett, Counsell, et al., 1976 | AC |
8.25 | 296. | BG | Baldt and Hall, 1971 | Based on data from 273. to 318. 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)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
296. to 343. | 11.59 | 0.2757 | 506.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
274.91 to 328.99 | 4.19793 | 1164.426 | -52.69 | Polák and Mertl, 1965 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.789 | 174.897 | Okamoto, Oguni, et al., 1992, 2 | DH |
1.79 | 174.9 | Okamoto, Oguni, et al., 1992, 2 | AC |
Gas phase ion energetics data
Go To: Top, Phase change 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 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 C3H6O2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.25 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 196.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 189.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.2 | PE | Cannington and Ham, 1985 | LBLHLM |
10.25 | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
10.25 ± 0.05 | PE | Benoit, Harrison, et al., 1977 | LLK |
10.33 | PE | Sweigart and Turner, 1972 | LLK |
10.27 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
10.5 | PE | Cannington and Ham, 1985 | Vertical value; LBLHLM |
10.25 | PE | Benoit and Harrison, 1977 | Vertical value; LLK |
11.0 | PE | Rao, 1975 | Vertical value; LLK |
10.59 | PE | Sustmann and Trill, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CHO+ | 13.95 ± 0.08 | ? | EI | Brion and Dunning, 1963 | RDSH |
CH2+ | 20.8 | ? | EI | King and Long, 1958 | RDSH |
CH3+ | 13.07 ± 0.10 | ? | EI | Brion and Dunning, 1963 | RDSH |
CH3O+ | 12.52 ± 0.10 | ? | EI | Brion and Dunning, 1963 | RDSH |
C2H2O+ | 11.81 ± 0.15 | ? | EI | Friedland and Strakna, 1956 | RDSH |
C2H3O+ | 11.05 | CH3O | PI | Traeger, McLouglin, et al., 1982 | LBLHLM |
C2H3O+ | 10.9 ± 0.1 | CH3O | EI | Burgers and Holmes, 1982 | LBLHLM |
C2H3O+ | 10.94 | ? | EI | Holmes and Lossing, 1979 | LLK |
C2H3O+ | 11.37 ± 0.05 | CH3O | EI | Haney and Franklin, 1969 | RDSH |
C2H3O2+ | 11.32 ± 0.05 | CH3 | EI | Blanchette, Holmes, et al., 1986 | LBLHLM |
C2H3O2+ | 12.35 ± 0.03 | CH3 | EI | Briggs and Shannon, 1969 | RDSH |
De-protonation reactions
C3H5O2- + =
By formula: C3H5O2- + H+ = C3H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 371.8 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
ΔrH° | 371.8 ± 3.7 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase; B |
ΔrH° | 375.9 ± 3.5 | kcal/mol | EIAE | Pariat and Allan, 1991 | gas phase; From CH3CO2Me; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 365.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics data, 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 | DB-1 | 80. | 501.15 | Mijin and Antonovic, 2006 | 30. m/0.256 mm/0.25 μm, N2 |
Capillary | DB-5 | 80. | 522.17 | Mijin and Antonovic, 2006 | 60. m/0.321 mm/0.25 μm, N2 |
Capillary | HP-1 | 0. | 520.6 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 10. | 521. | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 20. | 526.2 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 30. | 521.3 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 40. | 515.7 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 50. | 513.8 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | HP-1 | 60. | 511.5 | Wang, Liu, et al., 2005 | 30. m/0.25 mm/0.25 μm |
Capillary | SE-54 | 110. | 529.7 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 525.7 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 523.7 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 110. | 530. | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 525.7 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 522.4 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-30 | 100. | 505. | Tarjan, Nyiredy, et al., 1989 | |
Capillary | SE-30 | 80. | 505. | Tarjan, Nyiredy, et al., 1989 | |
Capillary | SE-30 | 100. | 505. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 60. | 509. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 80. | 505. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | Apiezon L + KF | 70. | 529. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | SE-30 | 100. | 560. | Haken, Madden, et al., 1983 | Column length: 25. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 80. | 525.9 | Komárek, Hornová, et al., 1982 | N2; Column length: 15. m; Column diameter: 0.22 mm |
Packed | SE-30 | 150. | 509. | Haken, Ho, et al., 1975 | Column length: 3.7 m |
Packed | SE-30 | 150. | 509. | Ashes and Haken, 1974 | Celaton (62-72 mesh); Column length: 3.7 m |
Packed | SE-30 | 100. | 505. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Packed | SE-30 | 150. | 506. | Germaine and Haken, 1969 | Celite 560; Column length: 3.7 m |
Packed | SE-30 | 80. | 510. | Viani, Müggler-Chavan, et al., 1965 | He, Chromosorb P; Column length: 6. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-54 | 531. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 509. | Chretien and Dubois, 1978 | Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-351 | 100. | 844. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 120. | 877. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 60. | 823. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | OV-351 | 80. | 839. | Haken and Korhonen, 1986 | N2; Column length: 25. m; Column diameter: 0.32 mm |
Packed | Carbowax 20M | 75. | 850. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
Packed | Carbowax 20M | 100. | 836. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CBP-20 | 832. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 810. | 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 | 827. | 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 | 828. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Carbowax 20M | 798. | Kevei and Kozma, 1976 | Chromosorb; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 522. | 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 | 531. | 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 | Petrocol DH | 517.2 | 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-5 | 526.3 | 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 5 CB | 506. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 2. K/min, 280. C @ 40. min |
Capillary | SPB-1 | 511. | 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 5 CB | 511. | Pino, Marbot, et al., 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | OV-101 | 521.3 | Golovnya, Syomina, et al., 1997 | 50. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 140. C |
Capillary | SE-30 | 516.7 | Grigor'eva, Golovnya, et al., 1997 | 25. m/0.32 mm/1. μm, He, 8. K/min; Tstart: 140. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 536. | Dharmawan, Kasapis, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C => 4C/min => 200C => 30C/min => 300C (3min) |
Capillary | HP-5 | 515. | Boué, Shih, et al., 2003 | 50. m/0.2 mm/0.5 μm, He; Program: 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min) |
Capillary | DB-5 | 559. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 839. | Gurbuz O., Rouseff J.M., et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | CP-Wax 52CB | 826. | Kourkoutas, Elmore, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | DB-Wax | 864. | Varming, Petersen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 25. min |
Capillary | Carbowax | 832.8 | 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 | HP-Wax | 801. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | FFAP | 834. | 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 | 825. | 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 | 829. | 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 | DB-Wax | 827. | Umano, Hagi, et al., 1992 | He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 817. | Chen, Kuo, et al., 1982 | He, 50. C @ 10. min, 1. K/min; Tend: 160. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 825. | 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 | 828. | 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 | 825. | 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) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 512. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 513. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 513. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 510. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 511. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 507. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 512. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | DB-1 | 60. | 515. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
Packed | SE-30 | 70. | 524. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 515.3 | 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 | 525. | 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 | BP-1 | 511. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-5 | 515. | Shimoda, Shibamoto, et al., 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 3. K/min; Tend: 200. C |
Capillary | DB-1 | 513. | 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 | 519. | 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 | SP 2100 | 509. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 40. m; Column diameter: 0.20 mm; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 531. | 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 | 528. | 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 | 509. | Chen, 2008 | Program: not specified |
Capillary | Methyl Silicone | 509. | Chen and Feng, 2007 | Program: not specified |
Capillary | VB-5 | 525. | Karlshøj, Nielsen, et al., 2007 | 60. m/0.25 mm/1. μm, He; Program: 35C(1min) => 4C/min => 175C => 10C/min => 260C |
Capillary | SE-30 | 509. | Liu, Liang, et al., 2007 | Program: not specified |
Capillary | DB-5 | 559. | Beaulieu, 2005 | 60. m/0.25 mm/0.25 μm; Program: 50C => 5C/min => 100C => 15C/min => 250C (19C) |
Capillary | DB-5 | 523. | 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 | SE-30 | 513. | Vinogradov, 2004 | Program: not specified |
Capillary | Methyl Silicone | 509. | N/A | Program: not specified |
Capillary | DB-5 | 530. | Dittmann and Nitz, 2000 | Program: not specified |
Capillary | SPB-1 | 512. | 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 | 510. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-1 | 507. | Schuberth, 1994 | 30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C |
Capillary | SPB-1 | 512. | 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 | 513. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | CP Sil 8 CB | 524. | 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 | DB-1 | 508. | 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 | 508. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | SF96+Igepal | 519. | 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 | 513. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | DB-Wax | 60. | 848. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Packed | Carbowax 20M | 100. | 818. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 843. | 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 | TR-WAX | 828. | Tena N., Lazzez A., et al., 2007 | 60. m/0.25 mm/0.25 μm, H2, 40. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 813. | Rizzolo, Cambiaghi, et al., 2005 | 60. m/0.53 mm/1. μm, 50. C @ 10. min, 3. K/min; Tend: 180. C |
Capillary | DB-Wax | 832. | Chida, Sone, et al., 2004 | 60. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min |
Capillary | Supelcowax-10 | 828. | Vichi, Castellote, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | Supelcowax-10 | 826. | Vichi, Pizzale, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min; Tend: 200. C |
Capillary | HP-Wax | 782. | 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 | DB-Wax | 856. | Umano, Hagi, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 822. | Duque, Bonilla, et al., 2001 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; Tstart: 25. C |
Capillary | HP-Wax | 782. | 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 | 782. | 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 | DB-Wax | 825. | Takeoka, Flath, et al., 1988 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min; Tend: 180. C |
Capillary | DB-Wax | 827. | Takeoka, Flath, et al., 1988 | 60. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min; Tend: 180. C |
Capillary | Carbowax 20M | 837. | Labropoulos, Palmer, et al., 1982 | Helium, 10. K/min; Column length: 31. m; Column diameter: 0.50 mm; Tstart: 40. C; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 845. | Lee, Chong, et al., 2012 | Program: not specified |
Capillary | SOLGel-Wax | 825. | 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 | 825. | 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 | 828. | Johanningsmeier and McFeeters, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 784. | 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 | HP-Innowax | 834. | 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 | FFAP | 854. | Ortiz, Echeverra, et al., 2009 | 50. m/0.20 mm/0.33 μm, Helium; Program: 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) |
Capillary | Supelcowax 10 | 826. | 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 | DB-Wax | 827. | 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 | 813. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
Capillary | FFAP | 834. | Lopez, Villatoro, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) |
Capillary | HP-Innowax | 804. | 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 | 834. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | FFAP | 834. | Echeverría, Correa, et al., 2004 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) |
Capillary | Carbowax 20M | 813. | Vinogradov, 2004 | Program: not specified |
Capillary | HP-FFAP | 834. | Echeverria, Fuentes, et al., 2003 | 50. m/0.2 mm/0.33 μm, He; Program: 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) |
Capillary | FFAP | 841. | Lopez, Lavilla, et al., 2000 | 50. m/0.2 mm/0.33 μm, N2; Program: 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) |
Capillary | Cross-linked FFAP | 841. | Lavilla, Puy, et al., 1999 | 50. m/0.2 mm/0.33 μm, N2; Program: 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min) |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 827. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 796. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, 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, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy 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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