Benzene, 1,2,3-trimethyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChIKey: FYGHSUNMUKGBRK-UHFFFAOYSA-N
- CAS Registry Number: 526-73-8
- 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: Hemimellitene; 1,2,3-Trimethylbenzene; Hemellitol; 1,2,3-TrimethyIbenzene; 1,2,3-trimethylbenzene (hemimellitene)
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -2.29 ± 0.30 | kcal/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 91.98 ± 0.15 | cal/mol*K | N/A | Taylor R.D., 1955 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
28.18 | 200. | Draeger, 1985 | Discrepancies with other statistically calculated values [ Taylor W.J., 1946, Hastings S.H., 1957, Thermodynamics Research Center, 1997] amount up to 5 J/mol*K in S(T) and Cp(T).; GT |
35.44 | 273.15 | ||
38.03 ± 0.1 | 298.15 | ||
38.22 | 300. | ||
48.42 | 400. | ||
57.72 | 500. | ||
65.65 | 600. | ||
72.37 | 700. | ||
78.08 | 800. | ||
82.93 | 900. | ||
87.07 | 1000. | ||
90.63 | 1100. | ||
93.69 | 1200. | ||
96.30 | 1300. | ||
98.57 | 1400. | ||
100.5 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -14.01 ± 0.30 | kcal/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1242.36 ± 0.28 | kcal/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; Corresponding ΔfHºliquid = -13.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 64.039 | cal/mol*K | N/A | Taylor, Johnson, et al., 1955 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
51.730 | 298.15 | Taylor, Johnson, et al., 1955 | T = 19 to 301 K.; DH |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 449.2 ± 0.2 | K | AVG | N/A | Average of 24 out of 29 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 247.7 ± 0.2 | K | AVG | N/A | Average of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 247.81 | K | N/A | Taylor, Johnson, et al., 1955, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 247.800 | K | N/A | Kilpatrick, 1953 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 664.5 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 665.50 | K | N/A | Kay and Pak, 1980 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tc | 664.39 | K | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 664.5 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.3 K; Visual, PRT, IPTS-48; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 34.1 ± 0.4 | atm | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 33.976 | atm | N/A | Kay and Pak, 1980 | Uncertainty assigned by TRC = 0.49 atm; TRC |
Pc | 34.09 | atm | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.06 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.72 ± 0.04 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.7 | 378. | A | Stephenson and Malanowski, 1987 | Based on data from 363. to 456. K. See also Forziati, Norris, et al., 1949.; AC |
10.2 | 265. | RG | Hopke and Sears, 1948 | Based on data from 259. to 270. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
363.48 to 450.28 | 4.16001 | 1593.958 | -66.072 | Forziati, Norris, et al., 1949, 2 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.96 | 247.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.7 | 218.7 | Domalski and Hearing, 1996 | CAL |
1.4 | 230.3 | ||
7.890 | 247.8 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.1574 | 218.70 | crystaline, III | crystaline, II | Taylor, Johnson, et al., 1955 | DH |
0.31931 | 230.27 | crystaline, II | crystaline, I | Taylor, Johnson, et al., 1955 | DH |
1.9551 | 247.81 | crystaline, I | liquid | Taylor, Johnson, et al., 1955 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.719 | 218.70 | crystaline, III | crystaline, II | Taylor, Johnson, et al., 1955 | DH |
1.39 | 230.27 | crystaline, II | crystaline, I | Taylor, Johnson, et al., 1955 | DH |
7.890 | 247.81 | crystaline, I | liquid | Taylor, Johnson, et al., 1955 | DH |
Henry's Law 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 by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.27 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.31 | L | N/A |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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-5 | 100. | 1035.4 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | HP-5 | 120. | 1043.5 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | HP-101 | 60. | 1001.05 | Garay, 2000 | 50. m/0.2 mm/0.2 μm, H2 |
Capillary | OV-1 | 100. | 1015.8 | Zhu, Zhang, et al., 1999 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | CP Sil 2 | 80. | 1022.4 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Packed | Squalane | 100. | 1013. | Hongwei and Zhide, 1992 | H2, Silanized white support (80-100 mesh); Column length: 3. m |
Capillary | HP-1 | 60. | 1001. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 1002. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1014. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 100. | 1014. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-1 | 100. | 1014.9 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-1 | 120. | 1021.9 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm |
Capillary | OV-101 | 100. | 1016. | Dimov and Mekenyan, 1989 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1016. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1016. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1016. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1012. | Nabivach and Vasiliev, 1987 | |
Capillary | OV-101 | 100. | 1013. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 1016. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 1013. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 110. | 1017. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 90. | 1010. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | Squalane | 106. | 1012. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | Squalane | 96. | 1009. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | DB-1 | 60. | 999.9 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 1000. | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | SE-30 | 70. | 1006.0 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 130. | 1029. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 1009. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 100. | 1016. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 120. | 1023. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 140. | 1031. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | Squalane | 86. | 1007.8 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1010.5 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1015.9 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 1022.8 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 140. | 1031.2 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Packed | Squalane | 100. | 1017. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 86. | 1007.8 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 1007.9 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 1007.8 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1010.5 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1013. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 80. | 1004.31 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 110. | 1033. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | Squalane | 100. | 1010. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | SE-30 | 65. | 1005.2 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | Squalane | 100. | 1011.9 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 1018. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 1007. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 1007.5 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1034. | Buchin, Salmon, et al., 2002 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min |
Capillary | DB-5 | 1020.6 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
Capillary | SE-54 | 1012. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | OV-101 | 1004. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | Apiezon L | 1048. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 1006.85 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 1010. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Capillary | Squalane | 1016. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | ZB-Wax | 100. | 1366.3 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | ZB-Wax | 120. | 1382.9 | Pérez-Parajón, Santiuste, et al., 2004 | 60. m/0.25 mm/0.25 μm |
Capillary | Carbowax 20M | 150. | 1295. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
Capillary | PEG-20M | 70. | 1325.4 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Capillary | Carbowax 20M | 100. | 1320.6 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Carbowax 20M | 90. | 1301.8 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Petro | 1005.7 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | DB-Petro | 1005.7 | Pang T., Zhu S., et al., 2007 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C |
Capillary | HP-5 | 999. | Solina, Baumgartner, et al., 2005 | 25. m/0.2 mm/1. μm, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C |
Capillary | CP-Sil 8CB-MS | 1012. | 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 | Petrocol DH | 1012.4 | 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 | DB-5 | 1016.0 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1019.9 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1022.7 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1032.8 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | HP-5 | 1018. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 180. C |
Capillary | OV-101 | 1008.2 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | CP Sil 8 CB | 1007. | Yassaa, Meklati, et al., 1999 | 25. m/0.2 mm/0.25 μm, 40. C @ 8. min, 2. K/min; Tend: 200. C |
Capillary | SE-54 | 1027.0 | Kivi-Etelätalo, Kostiainen, et al., 1997 | 50. m/0.32 mm/1. μm, He, 40. C @ 2. min, 10. K/min, 220. C @ 5. min |
Capillary | OV-1 | 979.7 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5 | 1016. | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1019.9 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1022.7 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 996. | Gómez, Ledbetter, et al., 1993 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | Petrocol DH | 1004.87 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 1005.04 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 1005. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | DB-5 | 1017. | Morinaga, Hara, et al., 1990 | 15. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C |
Capillary | Ultra-1 | 1004.77 | Steward and Pitzer, 1988 | 50. m/0.2 mm/0.33 μm, He, 2. K/min; Tstart: 0. C; Tend: 240. C |
Capillary | SE-30 | 1008.9 | Krupcík, Repka, et al., 1987 | 60. m/0.25 mm/1. μm, H2, 1. K/min; Tstart: 60. C |
Capillary | Ultra-1 | 997.82 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 1002.62 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 1005.67 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1017.96 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1023.11 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1026.55 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | OV-101 | 1004. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1027.65 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Capillary | DB-1 | 1009. | Mattinen, Tuominen, et al., 1995 | 30. m/0.32 mm/1. μm, He; Program: 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1348. | 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 | Carbowax | 1369.6 | Censullo, Jones, et al., 2003 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min |
Capillary | Supelcowax-10 | 1340. | 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 | 1340. | 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 | DB-Wax | 1329. | Shimoda, Yoshimura, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 1349. | Le Guen, Prost, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min |
Capillary | CP-Wax 52CB | 1324. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 1324. | Chevance and Farmer, 1999, 2 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 1341. | 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 | 1331. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 1337. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Supelcowax-10 | 1339. | Chung and Cadwallader, 1993 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min |
Capillary | Supelcowax-10 | 1343. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1343. | Tanchotikul and Hsieh, 1989 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1342. | Vejaphan, Hsieh, et al., 1988 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Capillary | Supelcowax-10 | 1342. | Vejaphan, Hsieh, et al., 1988 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1340. | 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 | CP-Wax 52CB | 1340. | Alasalvar, Shahidi, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 100. | 1010. | Berezkin, 1993 | |
Capillary | Squalane | 100. | 1011. | Berezkin, 1993 | |
Capillary | OV-101 | 100. | 1016. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1016. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1023. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1023. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 70. | 1010. | Wu and Lu, 1984 | |
Capillary | E-301 | 100. | 1020. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1016. | Bermejo, Moinelo, et al., 1980 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 95.4 | 1007. | Sojak and Vigdergauz, 1978 | H2 |
Capillary | Squalane | 110. | 1016. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1015. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | HP-5 MS | 1017. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | Petrocol DH | 1009. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | VF-5 MS | 1020. | 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 | 1023. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | PONA | 1014. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | HP-5 MS | 993. | Zhao, Zeng, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C |
Capillary | 5 % Phenyl methyl siloxane | 976. | 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 | HP-5 | 997.5 | 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 | SPB-5 | 1034. | Sebastian, Viallon-Fernandez, et al., 2003 | 60. m/0.32 mm/1.0 μm, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C |
Capillary | DB-5MS | 962. | Damon, Hernández, et al., 2002 | He, 50. C @ 2. min, 15. K/min, 280. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm |
Capillary | DB-5MS | 998. | Fernando and Grün, 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. C |
Capillary | BP-1 | 1019. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-1 | 1005. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
Capillary | OV-101 | 1000. | Orav, Kailas, et al., 1999, 2 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | HP-5 | 1028.2 | Wang and Fingas, 1995 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min |
Capillary | DB-5 MS | 966. | Gomez and Ledbetter, 1994 | Helium, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 1016. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Capillary | CP Sil 5 CB | 1000. | Hartgers, Damste, et al., 1992 | 25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min |
Capillary | OV-101 | 981. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 1010. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | SE-30 | 1007. | Heydanek and McGorrin, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Packed | Apiezon L | 976. | Dahlmann, Köser, et al., 1979 | Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1020. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1027. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1033. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | DB-5 MS | 981. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
Capillary | Methyl Silicone | 1022. | 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 | BP-5 | 1006. | Eyres, Dufour, et al., 2005 | 25. m/0.32 mm/0.50 μm, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) |
Capillary | BP-5 | 996. | Eyres, Dufour, et al., 2005 | 25. m/0.32 mm/0.50 μm, Helium; Program: not specified |
Capillary | HP-5MS | 1019. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | Polymethylsiloxane, (PMS-20000) | 1006. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | Methyl phenyl siloxane (not specified) | 1002. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | OV-101 | 1016. | Zhu and Wang, 2001 | Program: not specified |
Capillary | DB-1 | 1000. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 1007. | Spieksma, 1999 | Program: not specified |
Capillary | SE-30 | 1006. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | SE-30 | 1011. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | Methyl Silicone | 1011. | Zenkevich, 1995 | Program: not specified |
Capillary | DB-1 | 1003. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 1016. | Dimov, Osman, et al., 1994 | Program: not specified |
Capillary | OV-1 | 1014.6 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C |
Capillary | OV-1 | 1022.9 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
Capillary | OV-1 | 1020.5 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C. |
Capillary | OV-1 | 1021.9 | Engewald and Maurer, 1990 | Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C |
Capillary | Squalane | 1012.4 | Dimov and Mekenyan, 1989 | Program: not specified |
Capillary | SE-52 | 1033. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1004. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1006. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1009. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1011. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 90. | 1302. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1327. | 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 | Supelcowax-10 | 1332. | Hsieh, Williams, et al., 1989 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 1. K/min; Tend: 175. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax FSC | 1355. | Polatoglu, Demirci, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
Capillary | Supelcowax-10 | 1344. | Vichi, Guadayol, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) |
Capillary | HP-Innowax FSC | 1355. | Erdurak, Coskun, et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C |
Capillary | Supelcowax-10 | 1322. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | Innowax FSC | 1355. | Baser, Özek, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | Carbowax 20M | 1325. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | Innowax FSC | 1355. | Baser, Demirei, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
Capillary | HP-Innowax | 1355. | Gören, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
Capillary | Carbowax 20M | 1302. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
Capillary | PEG-20M | 1325. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | Carbowax 20M | 1308. | Dimov and Mekenyan, 1989 | Program: not specified |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 162.6 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law 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, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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