2,4-Di-tert-butylphenol
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChIKey: ICKWICRCANNIBI-UHFFFAOYSA-N
- CAS Registry Number: 96-76-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Phenol, 2,4-bis(1,1-dimethylethyl)-; Phenol, 2,4-di-tert-butyl-; 2,4-di-t-Butylphenol; 1-Hydroxy-2,4-di-tert-butylbenzene; Antioxidant No. 33; Prodox 146; Prodox 146A-85X; 2,4-Bis(1,1-dimethylethyl)phenol; 2,4-Bis(tert-butyl)phenol; NSC 174502; 2,4-tert-butylphenol; 2,4-bis(1,1'-dimethylethyl)phenol
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Gas phase thermochemistry data
Go To: Top, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -69.4 | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 |
Reaction thermochemistry data
Go To: Top, Gas phase 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: 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: C18H30O + C10H14O = C14H22O + C14H22O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.03 ± 0.11 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase |
By formula: C6H6O + C14H22O = C10H14O + C10H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -0.0 ± 0.9 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase |
By formula: C18H30O + C10H14O = 2C14H22O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.96 ± 0.47 | kcal/mol | Eqk | Pil'shchikov, Nesterova, et al., 1981 | liquid phase |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 |
---|---|---|---|---|---|
Packed | SE-30 | 250. | 1519. | Verevkin, Nesterov, et al., 1990 | He, NAWHMDS; Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1513. | Zhao C.X., Li, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 80. C; Tend: 300. C |
Capillary | DB-5 | 1512. | Nogueira, Bittrich, et al., 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 240. C |
Packed | SE-30 | 1539. | Staniewski, 1991 | GasChrom Q, 4. K/min; Column length: 2. m; Tstart: 80. C; Tend: 250. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 2280. | 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 | Stabilwax | 2327. | Cros, Lignot, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | Stabilwax | 2327. | Cros, Vandanjon, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Capillary | Supelcowax-10 | 2316. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 2316. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 2317. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 2321. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1518. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | HP-5 MS | 1521. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | HP-5 MS | 1525. | Jerkovic, Hegic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min |
Capillary | HP-5 | 1519. | Monsef-Esfahani, Miri, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | HP-5 MS | 1518. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | HP-5 MS | 1521. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | Petrocol DH | 1494. | Sojak, Kubinec, et al., 2006 | 150. m/0.25 mm/1.0 μm, 1. K/min; Tstart: 40. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1511. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1513. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | 1553. | Plaza, Santoyo, et al., 2010 | Program: not specified | |
Capillary | DB-5 | 1502. | Yu and Zhang, 2010 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (5 min) 5 0C/min -> 260 0C 15 0C/min -> 280 0C (1 min) |
Capillary | RTX-5 MS | 1519. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C |
Capillary | HP-5 | 1509. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 1519. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5MS | 1519. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | CP-Sil5 CB MS | 1502. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 2294. | Piyachaiseth, Jirapakkul, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min |
Capillary | RTX-Wax | 2270. | Prososki, Etzel, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min |
Capillary | Stabilwax | 2327. | Cros, Vandanjon, et al., 2003, 2 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 5. min, 3. K/min, 240. C @ 10. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 2318. | Lee, Chong, et al., 2012 | Program: not specified |
Capillary | DB-FFAP | 2312. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C |
Capillary | DB-Wax | 2330. | Li, Tao, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) |
Capillary | DB-Wax | 2330. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
Capillary | DB-Wax | 2330. | Li, Tao, et al., 2007 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min) |
Capillary | DB-Wax | 2277. | Selli, 2007 | 30. m/0.32 mm/0.50 μm, Hydrogen; Program: 60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min) |
Capillary | HP-Innowax | 2315. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 60 0C (5 min) 8 0C/min -> 250 0C (3 min) |
Capillary | HP-Innowax | 2321. | Viegas and Bassoli, 2007 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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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Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F.,
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Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
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Selli, S.,
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Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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