Propanal, 2-methyl-
- Formula: C4H8O
- Molecular weight: 72.1057
- IUPAC Standard InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
- CAS Registry Number: 78-84-2
- 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: Isobutyraldehyde; α-Methylpropionaldehyde; Isobutanal; Isopropylaldehyde; Isopropylformaldehyde; 2-Methylpropanal; 2-Methylpropionaldehyde; iso-C3H7CHO; Isobutylaldehyde; Isobutyric aldehyde; 2-Methyl-1-propanal; Isobutyraldehyd; Propionaldehyde, 2-methyl-; Valine aldehyde; Isobutaldehyde; Isobutyryl aldehyde; Methyl propanal; NCI-C60968; UN 2045; Isobutyral; NSC 6739; 2-methylpropanal (isobutanal)
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Reaction 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:
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
C4H7O- + =
By formula: C4H7O- + H+ = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1535. ± 13. | kJ/mol | D-EA | Alconcel, Deyerl, et al., 2001 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1504. ± 13. | kJ/mol | H-TS | Alconcel, Deyerl, et al., 2001 | gas phase; B |
By formula: H2 + C4H8O = C4H10O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -87.4 ± 0.3 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | liquid phase; ALS |
ΔrH° | -68.1 ± 0.9 | kJ/mol | Eqk | Connett, 1975 | gas phase; Heat of dehydrogenation; ALS |
(CAS Reg. No. 35730-34-8 • 4294967295) + = CAS Reg. No. 35730-34-8
By formula: (CAS Reg. No. 35730-34-8 • 4294967295C4H8O) + C4H8O = CAS Reg. No. 35730-34-8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 176. ± 9.2 | kJ/mol | N/A | Bartmess, Scott, et al., 1979 | 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° | 68.1 ± 0.9 | kJ/mol | Eqk | Connett, 1975 | gas phase; Heat of dehydrogenation; ALS |
By formula: C6H14O2 + H2O = 2CH4O + C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.39 ± 0.067 | kJ/mol | Eqk | Wiberg and Squires, 1981 | liquid phase; ALS |
By formula: H2O + C4H8O = C4H10O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -23. | kJ/mol | Eqk | Green and Hine, 1973 | liquid phase; ALS |
By formula: 3C4H8O = C12H24O3
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.47 | kJ/mol | Eqk | Ogorodnikov, Katsnel'son, et al., 1990 | liquid phase; PMR; ALS |
By formula: C4H8O = C4H8O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -86.19 | kJ/mol | Kin | Farberov, Bondarenko, et al., 1984 | liquid phase; ALS |
Mass spectrum (electron ionization)
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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 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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291424 |
Gas Chromatography
Go To: Top, 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 | HP-1 | 110. | 542.98 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 20. | 540.0 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 30. | 540.0 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 50. | 540.32 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 70. | 540.94 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 90. | 541.57 | Héberger, Görgényi, et al., 2002 | 50. m/0.32 mm/1.05 μm |
Capillary | HP-1 | 110. | 543. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 50. | 540. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 70. | 541. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | HP-1 | 90. | 542. | Héberger and Görgényi, 1999 | 50. m/0.32 mm/1.05 μm, N2 |
Capillary | OV-3 | 170. | 567. | Buttery, Ling, et al., 1983 | Column length: 150. m; Column diameter: 0.64 mm |
Packed | Apiezon L | 120. | 528. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | Apiezon L | 160. | 536. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Packed | DC-200 | 120. | 540. | Reymond, Mueggler-Chavan, et al., 1966 | Celite; Column length: 4. m |
Packed | SE-30 | 80. | 550. | 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 | 554. | 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, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | HP-Innowax | 110. | 842.7 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 50. | 830.4 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 70. | 836.8 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Capillary | HP-Innowax | 90. | 838.6 | Héberger and Görgényi, 1999 | 30. m/0.32 mm/0.5 μm |
Packed | Carbowax 4000 | 105. | 842. | Minyard, Tumlinson, et al., 1967 | N2, GAS Chrom P; Column length: 10. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 801. | 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 | 812. | Tatsuka, Suekane, et al., 1990 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 200. C |
Packed | PEG-20M | 800. | Galt and MacLeod, 1984 | N2, Celite, 70. C @ 9. min, 10. K/min; Column length: 5.5 m; Tend: 175. C |
Capillary | Carbowax 20M | 800. | Shibamoto, Kamiya, et al., 1981 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 800. | Shibamoto, Kamiya, et al., 1981 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 553. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | DB-5 | 550. | Bylaite and Meyer, 2006 | 30. m/0.25 mm/1. μm, 50. C @ 1. min, 10. K/min, 290. C @ 10. min |
Capillary | SPB-5 | 551. | Deport, Ratel, et al., 2006 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | CP-Sil 8CB-MS | 553. | 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 | CP-Sil 8CB-MS | 551. | 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 | 552. | Siegmund and Murkovic, 2004 | 30. m/0.25 mm/0.1 μm, -30. C @ 1. min, 10. K/min, 250. C @ 5. min |
Capillary | DB-5 | 546. | Zhou, Wintersteen, et al., 2002 | 15. m/0.32 mm/0.5 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min |
Capillary | SPB-1 | 531. | 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 | DB-5MS | 537. | Lee, Suriyaphan, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
Capillary | DB-5 | 556. | Rychlik and Bosset, 2001 | 30. m/0.053 mm/1.5 μm, He, 6. K/min; Tstart: 0. C; Tend: 230. C |
Capillary | DB-1 | 544. | Kaiser and Siegl, 1994 | 60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; Tend: 180. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 552. | Bonaiti, Irlinger, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) |
Capillary | DB-5 | 557. | Klesk and Qian, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
Capillary | DB-5 | 551. | Klesk and Qian, 2003, 2 | 30. m/0.32 mm/1. μm, He; Program: 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) |
Capillary | DB-1 | 532. | 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 | 558. | Carrapiso, Jurado, et al., 2002 | 50. m/0.32 mm/1.05 μm; Program: 35C (5min) => 10C/min => 150C => 20C/min => 250C (10min) |
Capillary | HP-5 | 558. | Carrapiso, Ventanas, et al., 2002 | 50. m/0.32 mm/1.05 μm; Program: 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) |
Capillary | DB-5 | 550. | Zehentbauer and Reineccius, 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 35 C (2 min) 40 C/min -> 50 C (2 min) 4 C/min -> 230 C |
Capillary | SE-54 | 554. | Mutti and Grosch, 1999 | 60. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 70C(2min) => 6C/min => 250C(10min) |
Capillary | SE-54 | 550. | Fickert and Schieberle, 1998 | 25. m/0.32 mm/0.5 μm, He; Program: 35C (2min) => 4C/min => 150C => 10C/min => 240C |
Capillary | SE-54 | 533. | Kubícková and Grosch, 1997 | Column length: 30. m; Column diameter: 0.32 mm; Program: 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) |
Capillary | SE-54 | 552. | Münch, Hofmann, et al., 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (2min) => 240C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 842. | Lozano P.R., Miracle E.R., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min |
Capillary | CP-Wax 52CB | 833. | 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 | 813. | 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 | 828. | 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-FFAP | 770. | Avsar, Karagul-Yuceer, et al., 2004 | 15. m/0.32 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 15. min |
Capillary | DB-Wax | 813. | Wu and Cadwallader, 2002 | 30. m/0.32 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-Wax | 812. | Wu and Cadwallader, 2002 | 30. m/0.53 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-FFAP | 839. | Zhou, Wintersteen, et al., 2002 | 15. m/0.32 mm/0.25 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min |
Capillary | DB-FFAP | 770. | Zhou, Wintersteen, et al., 2002 | 15. m/0.32 mm/0.25 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min |
Capillary | DB-Wax | 855. | Lee, Suriyaphan, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | CP-Wax 52CB | 823. | 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 | AT-Wax | 830. | 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 | DB-Wax | 789. | Cha and Cadwallader, 1998 | 30. m/0.32 mm/0.25 μm, 40. C @ 5. min, 6. K/min, 200. C @ 30. min |
Capillary | DB-Wax | 810. | 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 | DB-Wax | 800. | 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 | 807. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 814. | 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 | 812. | 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 | 812. | 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 | FFAP | 830. | Frauendorfer and Schieberle, 2006 | 25. m/0.32 mm/0.2 μm, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C |
Capillary | FFAP | 820. | Ranau, Kleeberg, et al., 2005 | 60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C(13.5min) |
Capillary | FFAP | 820. | Ranau and Steinhart, 2005 | 60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) |
Capillary | CP-Wax 52CB | 802. | Alasalvar, Shahidi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C |
Capillary | HP-FFAP | 834. | Carrapiso, Ventanas, et al., 2002 | 30. m/0.32 mm/0.25 μm; Program: 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) |
Capillary | FFAP | 821. | Kirchhoff and Schieberle, 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min) |
Capillary | FFAP | 821. | Kirchhoff and Schieberle, 2001 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min) |
Capillary | DB-FFAP | 819. | Mutti and Grosch, 1999 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 230C(10min) |
Capillary | FFAP | 821. | Münch, Hofmann, et al., 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 60C (2min) => 240C (10min) |
Capillary | Carbowax 20M | 850. | Whitfield, Shea, et al., 1981 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-1 | 60. | 540. | Amboni, Junkes, et al., 2002 | |
Packed | Apieson L | 120. | 535. | 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 | VF-5 MS | 554. | 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 | 558. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | DB-5 MS | 548. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
Capillary | RTX-5 | 551. | Berdague, Tournayre, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 4. K/min, 205. C @ 5. min |
Capillary | DB-5 | 540. | Gogus, Ozel, et al., 2007 | 60. m/0.32 mm/1.0 μm, Helium, 35. C @ 7. min, 15. K/min, 240. C @ 10. min |
Capillary | 5 % Phenyl methyl siloxane | 553. | 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 | 555. | 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 | 555. | 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 | 555. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | DB-5 | 595. | Fadel, Mageed, et al., 2006 | He, 50. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 250. C |
Capillary | DB-5 | 534. | Fan and Qian, 2006 | 30. m/0.32 mm/1. μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 15. min |
Capillary | DB-5 | 534. | Fan and Qian, 2005 | 30. m/0.32 mm/0.25 μm, N2, 40. C @ 2. min, 4. K/min, 250. C @ 5. min |
Capillary | HP-5 | 556.0 | 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 | MDN-5 | 554. | 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 | MDN-5 | 550. | 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 | DB-5MS | 560. | Cadwallader and Heo, 2001 | 30. m/0.53 mm/1.5 μm, He, 40. C @ 5. min, 6. K/min, 225. C @ 30. min |
Capillary | AT-1 | 582. | Kelling, 2001 | He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Capillary | RSL-200 | 552. | 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 | HP-5 | 553. | García, Martín, et al., 2000 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | OV-101 | 532. | 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 | SPB-5 | 591. | Doneanu and Anitescu, 1998 | 50. m/0.32 mm/0.25 μm, He, 3. K/min, 240. C @ 20. min; Tstart: 60. C |
Capillary | CBP-1 | 535. | Lamarque, Maestri, et al., 1998 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
Capillary | DB-1 | 550. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | SE-54 | 582. | 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 | RTX-5 | 550. | Milo and Grosch, 1995 | 30. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C |
Capillary | RTX-5 | 550. | Milo and Grosch, 1995 | 30. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C |
Capillary | OV-101 | 540. | 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 | 531. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 531. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 532. | 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 | 534. | Lorenz, Stern, et al., 1983 | 45. C @ 30. min, 2. K/min; Column length: 213. m; Column diameter: 0.7 mm; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 532. | 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 | DB-5 MS | 550. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 547. | 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 | DB-5 | 552. | Buettner, 2007 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
Capillary | HP-5 | 558. | Carrapiso and Garsia, 2007 | 50. m/0.32 mm/1.05 μm; Program: 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) |
Capillary | DB-5 MS | 550. | 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 | Methyl Silicone | 542. | 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 | 561. | 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 | 550. | 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 | 550. | 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 | 540. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 540. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | CP Sil 5 CB | 566. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
Capillary | Polydimethyl siloxane | 543. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Capillary | DB-1 | 538. | 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 | RTX-5 | 558. | Masanetz, Guth, et al., 1998 | Program: not specified |
Capillary | SE-54 | 547. | Zehentbauer and Grosch, 1998 | 25. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 50C/min => 60C(2min) => 4C/min => 230C |
Capillary | SPB-1 | 536. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-5 | 530. | Mateo, Aguirrezábal, et al., 1997 | 50. m/0.32 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 95C => 10C/min => 270C(10min) |
Capillary | DB-1 | 531. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 536. | 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 | CP Sil 8 CB | 556. | 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 | 537. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | methyl silicone oil with 5% Igepal | 539. | Schultz, Flath, et al., 1988 | Column length: 150. m; Column diameter: 0.75 mm; Program: not specified |
Capillary | SF96+Igepal | 541. | 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 | SE-30 | 538. | 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 833. | 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 | DB-Wax | 814. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 819. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 821. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 831. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 834. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | ZB-Wax | 827. | 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 | Supelcowax-10 | 814. | 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 | 822. | 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 | PEG-20M | 807. | 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 | TC-Wax | 817. | Fukami, Ishiyama, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 813. | Cadwallader and Heo, 2001 | 30. m/0.53 mm/1. μm, He, 40. C @ 5. min, 6. K/min, 225. C @ 30. min |
Capillary | Supelcowax-10 | 814. | 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 | 820. | 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 | 818. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | Carbowax 20M | 800. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 819. | Feng, Zhuang, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-Innowax | 819. | 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 | DB-Wax | 808. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | FFAP | 830. | Frauendorfer and Schieberle, 2008 | Helium; Program: not specified |
Capillary | Supelcowax-10 | 812. | 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 | 814. | 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-FFAP | 821. | Buettner, 2007 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
Capillary | HP-FFAP | 834. | Carrapiso and Garsia, 2007 | 30. m/0.32 mm/0.25 μm; Program: 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) |
Capillary | Innowax | 830. | Junkes, Amboni, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 825. | 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 | 800. | Vinogradov, 2004 | Program: not specified |
Capillary | Supelcowax-10 | 800. | Chang, Seitz, et al., 1995 | 30. m/0.32 mm/0.25 μm, He; Program: 50C(2min) => 7C/min => 140C => 17.5C/min => 230C |
Capillary | DB-Wax | 824. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 817. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, 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, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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