Butanoic acid, methyl ester
- Formula: C5H10O2
- Molecular weight: 102.1317
- IUPAC Standard InChIKey: UUIQMZJEGPQKFD-UHFFFAOYSA-N
- CAS Registry Number: 623-42-7
- 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: Butyric acid, methyl ester; Methyl butanoate; Methyl butyrate; Methyl n-butyrate; n-C3H7COOCH3; n-Butyric acid methyl ester; Methyl n-butanoate; UN 1237; Methyl ester of butanoic acid; NSC 9380
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Phase change data
Go To: Top, 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 compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 375. ± 4. | K | AVG | N/A | Average of 22 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 554.5 | K | N/A | Young, 1910 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 554.5 | K | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 551.2 | K | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 3. K; TRC |
Tc | 544.7 | K | N/A | De Heen, 1888 | Uncertainty assigned by TRC = 8. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.28 | atm | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.8000 atm; TRC |
Pc | 34.250 | atm | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.39 atm; TRC |
Pc | 36.02 | atm | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 2.0000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.939 | mol/l | N/A | Young, 1910 | Uncertainty assigned by TRC = 0.098 mol/l; TRC |
ρc | 2.940 | mol/l | N/A | Young and Thomas, 1893 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
ρc | 2.85 | mol/l | N/A | Heilbron, 1891 | Uncertainty assigned by TRC = 0.098 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.5 ± 0.3 | kcal/mol | AVG | N/A | Average of 11 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.076 | 375.9 | N/A | Majer and Svoboda, 1985 | |
8.82 | 350. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
9.82 ± 0.05 | 284. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
9.18 | 332. | N/A | Swiatek and Malanowski, 2002 | Based on data from 317. to 360. K.; AC |
8.70 | 364. | N/A | Ortega, Susial, et al., 1990 | Based on data from 349. to 384. K.; AC |
8.17 | 390. | A | Stephenson and Malanowski, 1987 | Based on data from 375. to 545. K.; AC |
10.2 | 261. | A | Stephenson and Malanowski, 1987 | Based on data from 246. to 375. K. See also Stull, 1947.; AC |
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 |
---|---|---|---|---|---|
375.5 to 545. | 4.71515 | 1758.314 | -2.421 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
246.4 to 375.5 | 4.57928 | 1528.058 | -41.606 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
Go To: Top, Phase change 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 by: 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
By formula: C7H16O3 + H2O = C5H10O2 + 2CH4O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.272 ± 0.014 | kcal/mol | Cm | Wiberg, Martin, et al., 1985 | liquid phase; solvent: Aqueous dioxane |
ΔrH° | -6.315 ± 0.014 | kcal/mol | Cm | Wiberg, 1980 | liquid phase; solvent: Water; Hydrolysis |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry 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
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 118791 |
Gas Chromatography
Go To: Top, Phase change data, Reaction thermochemistry 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. | 705.6 | Hu, Lu, et al., 2006 | |
Capillary | SE-54 | 110. | 719.9 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 130. | 719.1 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | SE-54 | 150. | 718.9 | Grigor'eva, Vasil'ev, et al., 1989 | 15. m/0.28 mm/2.5 μm, Ar |
Capillary | Apiezon L + KF | 70. | 697. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | SE-30 | 100. | 723. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 120. | 706. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | SE-30 | 80. | 710. | Haken and Korhonen, 1985 | N2; Column length: 25. m; Column diameter: 0.33 mm |
Capillary | OV-101 | 100. | 710. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 709. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 80. | 717. | Haken and Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 80. | 706. | Komárek, Hornová, et al., 1983 | Column length: 15. m; Column diameter: 0.22 mm |
Packed | SE-30 | 70. | 711. | Heintz, Druilhe, et al., 1977 | N2, Chromosorb W AW (0.20-0.25 mm); Column length: 3. m |
Packed | SE-30 | 150. | 702. | Ashes and Haken, 1974 | Celaton (62-72 mesh); Column length: 3.7 m |
Packed | SE-30 | 100. | 715. | Chastrette, Heintz, et al., 1974 | N2, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | OV-1 | 150. | 714. | Ashes and Haken, 1971 | |
Packed | SE-30 | 100. | 704. | Zarazir, Chovin, et al., 1970 | Chromosorb W; Column length: 2. m |
Packed | SE-30 | 150. | 714. | Germaine and Haken, 1969 | Celite 560; Column length: 3.7 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 705. | Takeoka, Buttery, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 708. | Takeoka, Buttery, et al., 1992 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 705. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 708. | Takeoka, Flath, et al., 1990 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | BP-1 | 705. | Bartley and Schwede, 1989 | He, 30. C @ 2. min, 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tend: 200. C |
Capillary | OV-101 | 710. | Morales and Duque, 1987 | He, 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 60. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 702. | Chretien and Dubois, 1978 | Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 100. | 982. | Chastrette, Heintz, et al., 1974 | Chromosorb WAW (60-80 mesh); Column length: 3. m |
Packed | Carbowax 20M | 100. | 997. | 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 | BP-20 | 1008. | Wyllie and Leach, 1990 | 70. C @ 2. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | Carbowax 20M | 980. | Nishimura, Yamaguchi, et al., 1989 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | BP-20 | 975. | MacLeod and Pieris, 1983 | H2, 65. C @ 3. min, 12. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tend: 180. C |
Capillary | Carbowax 20M | 990. | Buttery, Seifert, et al., 1982 | He, 1. K/min; Column length: 150. m; Column diameter: 0.64 mm; Tstart: 50. C; Tend: 170. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 710. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 710. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 717. | Bylaite and Meyer, 2006 | 30. m/0.25 mm/1. μm, 50. C @ 1. min, 10. K/min, 290. C @ 10. min |
Capillary | HP-5 | 727. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
Capillary | HP-5MS | 724. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | CP-Sil 8CB-MS | 724. | 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 | SPB-5 | 723. | Píno, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | CP-Sil 8CB-MS | 740. | 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 | CP Sil 5 CB | 690. | 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 | CP Sil 8 CB | 723. | 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 | 730. | 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 | CP Sil 5 CB | 696. | Pino, Marbot, et al., 2002 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | DB-5 | 724. | Isidorov, Zenkevich, et al., 2001 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | SPB-1 | 707. | 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 | 696. | Pino and Marbot, 2001 | 50. m/0.32 mm/0.4 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min |
Capillary | CP Sil 5 CB | 696. | 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 | DB-5 | 719. | Moio, Piombino, et al., 2000 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-5 | 720. | Moio, Piombino, et al., 2000 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-5 | 719. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-5 | 720. | Moio and Addeo, 1998 | 30. m/0.32 mm/1. μm, H2, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | OV-101 | 709.5 | Golovnya, Syomina, et al., 1997 | 50. m/0.25 mm/0.25 μm, He, 8. K/min; Tstart: 140. C |
Capillary | SE-30 | 707.2 | Grigor'eva, Golovnya, et al., 1997 | 25. m/0.32 mm/1. μm, He, 8. K/min; Tstart: 140. C |
Capillary | Methyl Silicone | 708. | Píry, Príbela, et al., 1995 | 25. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-1 | 720. | Wu, Kuo, et al., 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5MS | 720.6 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | DB-5 | 728. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
Capillary | DB-5 | 735. | Boscaini, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C 8C/min => 250C |
Capillary | CP Sil 8 CB | 731. | Oruna-Concha, Bakker, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Capillary | DB-5 | 717. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Capillary | CP Sil 8 CB | 737. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Capillary | HP-5 | 724. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C => 6C/min => 100C => 4C/min => 280C |
Capillary | DB-1 | 704. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Capillary | BPX-5 | 720. | Bauchot, Mottram, et al., 1998 | 50. m/0.32 mm/0.50 μm, He; Program: 0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C |
Packed | SE-30 | 711. | 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 | ZB-Wax | 992. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 981. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | Supelcowax-10 | 993. | Arena, Guarrera, et al., 2006 | 30. m/0.32 mm/0.5 μm, He, 70. C @ 7. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 980. | 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 Etr | 998. | Ménager, Jost, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 976. | Varming, Andersen, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 6. K/min, 240. C @ 25. min |
Capillary | DB-Wax | 989. | 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 | AT-Wax | 953. | Pino, Almora, et al., 2003 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | DB-Wax | 993. | Rega, Fournier, et al., 2003 | 30. m/0.32 mm/0.5 μm, 35. C @ 5. min, 5. K/min, 240. C @ 5. min |
Capillary | AT-Wax | 955. | Pino, Marbot, et al., 2002 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | AT-Wax | 958. | Pino and Marbot, 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | AT-Wax | 955. | Pino, Marbot, et al., 2001 | 60. m/0.32 mm/0.25 μm, He, 65. C @ 10. min, 2. K/min, 250. C @ 60. min |
Capillary | DB-Wax | 979. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | HP-Wax | 993. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | DB-Wax | 985. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | Carbowax 20M | 980. | Píry, Príbela, et al., 1995 | 50. m/0.2 mm/0.2 μm, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min |
Capillary | DB-Wax | 969. | 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 | 969. | Shimoda, Shigematsu, et al., 1995, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 978. | 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 | 984. | 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 | 961. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | Carbowax 20M | 967. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | Carbowax 20M | 977. | Chen, Kuo, et al., 1982 | He, 50. C @ 10. min, 1. K/min; Tend: 160. C |
Packed | Carbowax 20M | 971. | 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 | 982. | 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 | 987. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min) |
Capillary | Stabilwax | 989. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
Capillary | Stabilwax | 995. | Wang, Finn, et al., 2005 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) |
Capillary | Stabilwax | 973. | Klesk and Qian, 2003 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
Capillary | HP-Innowax | 1001. | Iversen, Jakobsen, et al., 1998 | 60. m/0.25 mm/0.25 μm, He; Program: 32C(1.5min) => 3C/min => 40C (10min) => 3C/min => 200C (10min) |
Capillary | Supelcowax-10 | 965. | Cadwallader and Xu, 1994 | 60. m/0.25 mm/0.25 μm, He; Program: 40C => (6C/min) => 80C(6min) => (15C/min) => 200C(10min) |
Capillary | FFAP | 971. | 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 | OV-101 | 120. | 716. | Blazso, Ujszaszi, et al., 1980 | Column length: 20. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 160. | 706. | Blazso, Ujszaszi, et al., 1980 | Column length: 20. m; Column diameter: 0.23 mm |
Packed | SE-30 | 70. | 716. | Yabumoto, Jennings, et al., 1977 | |
Packed | Apieson L | 120. | 676. | 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 | DB-5 MS | 721. | Majcher, Lawrowski, et al., 2010 | 25. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 10. K/min; Tend: 250. C |
Capillary | HP-5 MS | 728. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min |
Capillary | SE-54 | 723. | Laselan, Buettner, et al., 2009 | 30. m/0.32 mm/0.25 μm, 0. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | DB-1 | 705. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
Capillary | DB-1 | 698. | Chen, Sheu, et al., 2006 | Nitrogen, 40. C @ 1. min, 2. K/min, 200. C @ 9. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | HP-5 | 724. | 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 | 723.0 | 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 | HP-5 | 710. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 710. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 710. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 714. | Azodanlou, Darbellay, et al., 2003 | 25. m/0.2 mm/0.33 μm, He, 4. K/min, 190. C @ 5. min; Tstart: 40. C |
Capillary | SPB-5 | 722. | Ledauphin, Guichard, et al., 2003 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 5. K/min, 220. C @ 20. min |
Capillary | DB-5 | 724. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min |
Capillary | RSL-200 | 706. | 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-5 | 722. | Rouseff, Jella, et al., 2001 | 30. m/0.32 mm/0.5 μm, 6. K/min; Tstart: 35. C; Tend: 275. C |
Capillary | Ultra-1 | 712. | Iwaoka, Zhang, et al., 1993 | 50. m/0.31 mm/0.17 μm, He, 30. C @ 4. min, 2. K/min; Tend: 210. C |
Capillary | DB-1 | 705. | Peppard, 1992 | 30. m/0.25 mm/1.0 μm, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C |
Capillary | DB-1 | 705. | Peppard, 1992 | 30. m/0.25 mm/1.0 μm, He, 3. K/min, 250. C @ 30. min; Tstart: 40. C |
Capillary | DB-1 | 703. | Shiota, 1991 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | DB-1 | 706. | Shiota, 1991 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | OV-101 | 705. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-1 | 705. | Takeoka and Butter, 1989 | He, 30. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 210. C |
Capillary | DB-1 | 709. | Takeoka and Butter, 1989 | He, 30. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 210. C |
Capillary | DB-1 | 710. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Capillary | SE-30 | 706. | Dirinck, de Pooter, et al., 1981 | N2, 2. K/min; Column length: 200. m; Column diameter: 0.6 mm; Tstart: 20. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Siloxane, 5 % Ph | 745. | VOC BinBase, 2012 | Program: not specified |
Capillary | DB-5 | 712. | 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 | Polydimethyl siloxane, 5 % phenyl | 745. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
Capillary | HP-5 MS | 729. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 722. | 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 | HP-5 | 725. | Qiao, Xie, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) |
Capillary | HP-5 | 724. | Qiao, Xie, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 702. | Chen and Feng, 2007 | Program: not specified |
Capillary | SE-54 | 723. | Lasekan, Buettner, et al., 2007 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
Capillary | SE-30 | 702. | Liu, Liang, et al., 2007 | Program: not specified |
Capillary | DB-5 | 717. | Beaulieu, 2005 | 60. m/0.25 mm/0.25 μm; Program: 50C => 5C/min => 100C => 15C/min => 250C (19C) |
Capillary | SE-30 | 705. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-1 | 725. | Alves and Franco, 2003 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(10min) => 2C/min => 110C => 5C/min => 200C(10min) |
Capillary | SPB-5 | 715. | Begnaud, Pérès, et al., 2003 | 60. m/0.32 mm/1. μm; Program: not specified |
Capillary | HP-5 | 723. | Jordán, Margaría, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 40C(6min) => 2.5C/min => 150C => 90C/min => 250C |
Capillary | HP-5 | 723. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5 | 726. | Jordán, Goodner, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5 | 723. | Jordán, Margaría, et al., 2002 | 30. m/0.25 mm/0.25 μm; Program: 40C (6min) => 2.5C/min => 150C => 90C/min => 250C |
Capillary | CP Sil 8 CB | 720. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-1 | 705. | Teai, Claude-Lafontaine, et al., 2001 | 50. m/0.32 mm/0.52 μm, N2; Program: 40C => 2C/min => 130C => 4C/min => 250C |
Capillary | Methyl Silicone | 706. | Estrada and Gutierrez, 1999 | Program: not specified |
Capillary | DB-1 | 704. | Yen and Lin, 1999 | 60. m/0.32 mm/0.25 μm, N2; Program: 40 0C (10 min) 40 - 80 0C at 2 0C/min 80 - 200 0C at 5 0C/min 200 0C (10 min) |
Capillary | SPB-1 | 706. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 706. | 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 | 723. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | DB-1 | 702. | 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 | 704. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | OV-101 | 705. | Morales and Duque, 1987 | He; Column length: 25. m; Column diameter: 0.31 mm; Program: not specified |
Capillary | OV-1 | 723. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG | 100. | 1000. | Dowling, Evans, et al., 1990 | Phasesep W (10 %) |
Packed | PEG | 100. | 1026. | Dowling, Evans, et al., 1990 | Phasesep W (10 %) |
Packed | Carbowax 20M | 100. | 983. | Yabumoto, Jennings, et al., 1977 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-FFAP | 981. | Laselan, Buettner, et al., 2009 | 30. m/0.32 mm/0.25 μm, 0. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | DB-Wax | 971. | Kumazawa, Itobe, et al., 2008 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 30. C; Tend: 210. C |
Capillary | Supelcowax-10 | 943. | Chin, Nazimah, et al., 2007 | 10. m/0.1 mm/0.1 μm, He, 40. C @ 1.5 min, 50. K/min, 240. C @ 2. min |
Capillary | Carbowax 20M | 986. | Kafkas and Paydas, 2007 | 25. m/0.25 mm/0.40 μm, Helium, 5. K/min, 260. C @ 40. min; Tstart: 60. C |
Capillary | CP-Wax 52CB | 982. | 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 | ZB-Wax | 981. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 992. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 992. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | PEG-20M | 989. | Narain, Almeida, et al., 2004 | 50. m/0.20 mm/0.20 μm, 40. C @ 5. min, 3. K/min, 180. C @ 30. min |
Capillary | DB-Wax | 1000. | Alves and Franco, 2003 | 30. m/0.25 mm/0.5 μm, H2, 50. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 983. | Hayata, Sakamoto, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min |
Capillary | TC-Wax | 983. | Suhardi, Suzuki, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 993. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 5. K/min; Tend: 230. C |
Capillary | HP-Innowax | 945. | Ulrich, Hoberg, et al., 1997 | 60. m/0.32 mm/0.5 μm, H2, 1.5 K/min; Tstart: 50. C; Tend: 180. C |
Capillary | Supelcowax-10 | 985. | Girard and Lau, 1995 | 90. m/0.25 mm/0.25 μm, He, 35. C @ 20. min, 2. K/min, 220. C @ 30. min |
Capillary | Carbowax 20M | 975. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | DB-Wax | 982. | Takeoka and Butter, 1989 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 180. C |
Capillary | DB-Wax | 984. | Takeoka and Butter, 1989 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 4. min, 2. K/min; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1004. | 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 | FFAP | 955. | 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 | DB-Wax | 994. | Valappil, Fan, et al., 2009 | 30. m/0.32 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) |
Capillary | DB-FFAP | 981. | Lasekan, Buettner, et al., 2007 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
Capillary | DB-Wax | 983. | Mattheis, Fan, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) |
Capillary | Carbowax 20M | 975. | Vinogradov, 2004 | Program: not specified |
Capillary | PEG-20M | 974. | Garruti, Franco, et al., 2003 | 30. m/0.25 mm/0.25 μm; Program: 50C(8min) => 4C/min => 110C => 16C/min => 200C |
Capillary | DB-Wax | 975. | Miranda, Nogueira, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C |
Capillary | DB-Wax | 975. | Paniandy, Chane-Ming, et al., 2000 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1000. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 985. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 980. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry 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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Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature 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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