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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Gas phase thermochemistry data
Go To: Top, Phase change 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -215.8 ± 1.5 | kJ/mol | Cm | Wiberg, Crocker, et al., 1991 | ALS |
ΔfH°gas | -216.4 | kJ/mol | N/A | Gubareva and Gerasimov, 1990 | Value computed using ΔfHliquid° value of -247.9±0.7 kj/mol from Gubareva and Gerasimov, 1990 and ΔvapH° value of 31.5 kj/mol from Connett, 1975.; DRB |
ΔfH°gas | -215.7 ± 1.3 | kJ/mol | Eqk | Connett, 1975 | Heat of dehydrogenation; ALS |
ΔfH°gas | -218. | kJ/mol | Ccb | Tjebbes, 1962 | ALS |
Phase change data
Go To: Top, Gas phase 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 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
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 336. ± 2. | K | AVG | N/A | Average of 24 out of 27 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 201.00 | K | N/A | Tjebbes, 1962, 2 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 207.3 | K | N/A | Anonymous, 1958 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 145. | K | N/A | Cook, 1952 | Uncertainty assigned by TRC = 3. K; TRC |
Tfus | 207.3 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 32.0 ± 0.9 | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
31.4 | 318. | N/A | Eng and Sandler, 1984 | Based on data from 313. to 324. K.; AC |
31.8 | 324. | N/A | Brazhnikov, Peshchenko, et al., 1976 | Based on data from 309. to 337. K.; AC |
33.4 | 340. | EB | Wojtasinski, 1963 | Based on data from 333. to 347. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
286.08 to 336.00 | 3.87395 | 1060.141 | -63.196 | Seprakova, Paulech, et al., 1959 | Coefficents calculated by NIST from author's data. |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, 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 C4H8O+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.71 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 797.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 765.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.72 | PI | Traeger and McAdoo, 1986 | LBLHLM |
9.705 ± 0.005 | PE | Hernandez, Masclet, et al., 1977 | LLK |
9.69 ± 0.01 | PE | Cocksey, Eland, et al., 1971 | LLK |
9.74 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.82 | PE | Tam, Yee, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H3O+ | 10.29 | C2H5 | PI | Traeger and McAdoo, 1986 | LBLHLM |
De-protonation 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 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, 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 | 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, Gas phase thermochemistry data, 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, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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