Anisole
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChI: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
- IUPAC Standard InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N
- CAS Registry Number: 100-66-3
- 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: Benzene, methoxy-; Anizol; Methoxybenzene; Methyl phenyl ether; Phenyl methyl ether; Ether, methyl phenyl-; UN 2222; Phenoxymethane; Anisol; NSC 7920
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, IR Spectrum, 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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -16.24 ± 0.29 | kcal/mol | Ccb | Fenwick, Harrop, et al., 1975 | Author was aware that data differs from previously reported values; ALS |
| ΔfH°gas | -18.33 ± 0.22 | kcal/mol | Ccb | Lebedeva and Katin, 1972 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = -19.6 ± 0.3 kcal/mol; ALS |
| ΔfH°gas | -16.9 | kcal/mol | Ccb | Gray and Williams, 1959 | Private communication; ALS |
| ΔfH°gas | -17.9 | kcal/mol | N/A | Badoche, 1941 | Value computed using ΔfHliquid° value of -118.4 kj/mol from Badoche, 1941 and ΔvapH° value of 43.3 kj/mol from Lebedeva and Katin, 1972.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 38.829 | 388.15 | Hales J.L., 1967 | GT |
| 40.349 | 408.15 | ||
| 42.299 | 433.15 | ||
| 43.750 | 453.15 | ||
| 45.170 | 473.15 | ||
| 46.831 | 498.15 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
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: Br- + C7H8O = (Br- • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20. | cal/mol*K | N/A | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1991 | gas phase; ΔGaff measured at 303 K, corrected to 423 K, ΔSaff taken as that of PhNO2..Br-; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 3.3 | 423. | PHPMS | Paul and Kebarle, 1991 | gas phase; Entropy change calculated or estimated; M |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 401.3 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 394.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-methoxyphenide and Me2NH.; B |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 398.3 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 391.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between HO- and m,p-methoxyphenide; B |
C7H7O- + =
By formula: C7H7O- + H+ = C7H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 401.7 ± 3.1 | kcal/mol | G+TS | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 394.0 ± 3.0 | kcal/mol | IMRB | Dahlke and Kass, 1992 | gas phase; Acid: anisole. Between o-OMe-phenide and Me2NH.; B |
+
= (
•
)
By formula: Cl- + C7H8O = (Cl- • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrG° | 7.30 | kcal/mol | TDEq | French, Ikuta, et al., 1982 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.3 | 300. | PHPMS | French, Ikuta, et al., 1982 | gas phase; M |
+
=
+
By formula: HI + C7H7IO = C7H8O + I2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -6.9 ± 1.2 | kcal/mol | Cm | Brennan and Ubbelohde, 1956 | gas phase; ALS |
( •
) +
= (
• 2
)
By formula: (Li+ • C7H8O) + C7H8O = (Li+ • 2C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 29.0 ± 0.9 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
( •
) +
= (
• 2
)
By formula: (Na+ • C7H8O) + C7H8O = (Na+ • 2C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.4 ± 0.6 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
( •
) +
= (
• 2
)
By formula: (Cs+ • C7H8O) + C7H8O = (Cs+ • 2C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.7 ± 0.9 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
( •
) +
= (
• 2
)
By formula: (Rb+ • C7H8O) + C7H8O = (Rb+ • 2C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.2 ± 0.8 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
( •
) +
= (
• 2
)
By formula: (K+ • C7H8O) + C7H8O = (K+ • 2C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.7 ± 0.6 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
+
= (
•
)
By formula: Li+ + C7H8O = (Li+ • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 44.1 ± 4.5 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
+
= (
•
)
By formula: Na+ + C7H8O = (Na+ • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.1 ± 2.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
+
= (
•
)
By formula: Cs+ + C7H8O = (Cs+ • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.9 ± 1.2 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
+
= (
•
)
By formula: Rb+ + C7H8O = (Rb+ • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.3 ± 1.0 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
+
= (
•
)
By formula: K+ + C7H8O = (K+ • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.9 ± 0.7 | kcal/mol | CIDT | Amunugama and Rodgers, 2003 | RCD |
IR Spectrum
Go To: Top, Gas phase thermochemistry 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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 | ZB-1 | 100. | 891.69 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 110. | 893.73 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 120. | 895.86 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 130. | 897.86 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 140. | 900. | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 150. | 902.32 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 160. | 904.91 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 170. | 907.48 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 180. | 909.99 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 190. | 912.78 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Capillary | ZB-1 | 90. | 889.68 | Hoskovec, Grygarová, et al., 2005 | 30. m/0.32 mm/0.25 μm, He |
| Packed | C78, Branched paraffin | 130. | 909.0 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
| Capillary | SE-30 | 100. | 901.9 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
| Packed | OV-101 | 100. | 903.8 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
| Packed | OV-101 | 110. | 908.8 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
| Packed | OV-101 | 80. | 898.1 | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
| Packed | OV-101 | 90. | 901. | Righezza, Hassani, et al., 1996 | N2, Chromosorb G HP; Column length: 5. m |
| Packed | OV-101 | 120. | 910.1 | Hassani and Meklati, 1992 | N2, Chromosorb G HP; Column length: 5. m |
| Packed | C78, Branched paraffin | 130. | 909.4 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
| Packed | Apolane | 130. | 911. | Dutoit, 1991 | Column length: 3.7 m |
| Packed | Apolane | 150. | 928. | Evans and Haken, 1987 | He, Chromosorb G AW DCMS; Column length: 3.7 m |
| Packed | Apolane | 150. | 928. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m |
| Packed | SE-30 | 180. | 927. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
| Capillary | SE-30 | 140. | 887. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | SE-30 | 160. | 880. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Capillary | SE-30 | 180. | 900. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.3 mm |
| Packed | SE-30 | 180. | 927. | Oszczapowicz, Osek, et al., 1984 | N2, Chromosorb W AW; Column length: 3. m |
| Packed | SE-30 | 150. | 915. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
| Packed | SE-30 | 100. | 916. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
| Packed | Apiezon L | 100. | 919. | Bogoslovsky, Anvaer, et al., 1978 | Chromatone N AW DNCS |
| Packed | Apiezon L | 150. | 935. | Bogoslovsky, Anvaer, et al., 1978 | Chromatone N AW DNCS |
| Packed | Apiezon L | 180. | 940. | Vernon and Edwards, 1975 | N2, Celite; Column length: 1. m |
| Packed | SE-30 | 150. | 913. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
| Packed | SE-30 | 170. | 930. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
| Packed | Apiezon L | 130. | 930. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | Apiezon M | 923.6 | Jalali-Heravi and Garkani-Nejad, 1993 | Chromosorb W; Column length: 2. m; Program: not specified |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1340. | Haken and Vernon, 1986 | Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm |
| Capillary | OV-351 | 140. | 1375. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 160. | 1373. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Capillary | OV-351 | 180. | 1331. | Korhonen, 1984 | N2; Column length: 25. m; Column diameter: 0.32 mm |
| Packed | PEG-20M | 160. | 1368.6 | Still and Whitehead, 1977 | N2, Chromosorb G; Column length: 3. m |
| Packed | PEG-20M | 160. | 1368.6 | Still and Whitehead, 1977 | N2, Chromosorb G; Column length: 3. m |
| Packed | PEG-20M | 150. | 1394. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
| Packed | PEG-20M | 170. | 1398. | Tibor and Anna, 1971 | N2, Chromosorb W-AW; Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 920. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | Petrocol DH | 898.4 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
| Capillary | HP-5 | 918. | Ertugrul, Dural, et al., 2003 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | DB-5 | 915. | Dallüge, van Stee, et al., 2002 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | HP-5 | 923. | David, Scanlan, et al., 2000 | 50. m/0.32 mm/1.05 μm, He, 2. K/min; Tstart: 50. C; Tend: 290. C |
| Capillary | DB-1 | 900.3 | Helmig, Klinger, et al., 1999 | 60. m/0.32 mm/1. μm, -50. C @ 2. min, 6. K/min; Tend: 175. C |
| Capillary | OV-1 | 893.9 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
| Capillary | SE-30 | 908. | Korhonen, 1984 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Capillary | SE-30 | 907. | Korhonen, 1984 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Capillary | SE-30 | 906. | Korhonen, 1984 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tstart: 100. C |
| Packed | SE-30 | 902. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Wax | 1325. | Flamini, Tebano, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
| Capillary | Supelcowax-10 | 1354. | Matiella and Hsieh, 1990 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
| Capillary | PEG-20M | 1355.4 | Wang and Sun, 1987 | 25. m/0.26 mm/0.3 μm, 2. K/min; Tstart: 100. C; Tend: 200. C |
| Capillary | PEG-20M | 1345.6 | Wang and Sun, 1987 | 25. m/0.26 mm/0.3 μm, 2. K/min; Tstart: 60. C; Tend: 200. C |
| Capillary | PEG-20M | 1356.8 | Wang and Sun, 1987 | 25. m/0.26 mm/0.3 μm, 8. K/min; Tstart: 60. C; Tend: 200. C |
| Capillary | PEG-20M | 1353.8 | Wang and Sun, 1985 | 2. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 100. C |
| Capillary | PEG-20M | 1348.2 | Wang and Sun, 1985 | 3. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 70. C |
| Capillary | PEG-20M | 1351.0 | Wang and Sun, 1985 | 4. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 70. C |
| Capillary | PEG-20M | 1348.0 | Wang and Sun, 1985 | 2. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 80. C |
| Capillary | PEG-20M | 1350.9 | Wang and Sun, 1985 | 2. K/min; Column length: 62. m; Column diameter: 0.27 mm; Tstart: 90. C |
| Capillary | OV-351 | 1349. | Korhonen, 1984 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Capillary | OV-351 | 1342. | Korhonen, 1984 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Capillary | OV-351 | 1344. | Korhonen, 1984 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 100. C |
| Packed | Carbowax 20M | 1341. | 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 | 1355. | Bianchi, Cantoni, et al., 2007 | 30. m/0.25 mm/0.25 μm; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 220C(1min) |
| Capillary | Supelcowax-10 | 1355. | 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 | 1355. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apieson L | 140. | 956. | Hedin, Minyard, et al., 1967 | Nitrogen, Chromosorb W HMDS (60-80 mesh); Column length: 1.8 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5 MS | 918. | 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 | 921. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
| Capillary | Ultra-ALLOY-5 | 920. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
| Capillary | ZB-5 | 918. | Harrison and Priest, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min |
| Capillary | HP-5 | 918. | Isidorov and Jdanova, 2002 | 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | DB-1 | 900. | Guy and Vernin, 1996 | He, 70. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
| Capillary | OV-101 | 900. | Egolf and Jurs, 1993 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 920. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 922. | Robinson, Adams, et al., 2012 | Program: not specified |
| Capillary | CP-Sil | 925. | Proffit, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (3 min) 3 0C/min -> 100 0C 2.7 0C/min -> 140 0C 2.4 0C/min -> 180 0C 6 0C/min -> 250 0C |
| Capillary | OV-101 | 910. | Ebrahimi and Hadjmohammadi, 2006 | Program: not specified |
| Capillary | SE-30 | 900. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-5 | 923.0 | David, Scanlan, et al., 2002 | 50. m/0.32 mm/1.05 μm, He; Program: not specified |
| Capillary | Polydimethyl siloxane | 900. | Spanier, Shahidi, et al., 2001 | Program: not specified |
| Capillary | RSL-150 | 896. | Buchbauer, Nikiforov, et al., 1994 | 60. m/0.32 mm/0.25 μm, He; Program: 30c (1.5min) => 20C/min => 55C => 6C/min => 200C(10min) |
| Capillary | SE-30 | 900. | Lou, Liu, et al., 1993 | Column diameter: 0.25 mm; Program: not specified |
| Capillary | SE-30 | 893. | Ibrahim and Suffet, 1988 | N2; Column length: 60. m; Column diameter: 0.32 mm; Program: 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min) |
| Capillary | OV-101 | 900. | Shibamoto, 1987 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 916. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | AT-Wax | 1310. | Kiss, Csoka, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | CP-Wax 52CB | 1327. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | CP-Wax 52CB | 1327. | Rohloff and Bones, 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 4. K/min; Tend: 220. C |
| Capillary | Supelcowax-10 | 1336. | Wong and Lai, 1996 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 3. K/min, 200. C @ 30. min |
| Capillary | Carbowax 20M | 1327. | Egolf and Jurs, 1993 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
| Packed | Carbowax 20M | 1358. | Stancher and Pertoldi, 1967 | Hydrogen, Gas-Chrom Z (80-100 mesh), 4. K/min; Column length: 2. m; Tstart: 65. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1327. | Vinogradov, 2004 | Program: not specified |
| Capillary | DB-Wax | 1306. | Caldentey, Daria Fumi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C |
| Capillary | DB-Wax | 1340. | Peng, Yang, et al., 1991 | Program: not specified |
| Capillary | Carbowax 20M | 1327. | Shibamoto, 1987 | Program: not specified |
| Capillary | Superox 0.6; Carbowax 20M | 1330. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | Superox 0.6; Carbowax 20M | 1341. | 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, Reaction thermochemistry data, IR Spectrum, 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, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas T Temperature 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 ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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