Benzene, n-butyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
- CAS Registry Number: 104-51-8
- 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: 1-Phenylbutane; n-Butylbenzene; Butylbenzene; UN 2709; Benzene, butyl-; 1-butylbenzene
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Phase change data
Go To: Top, 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 456. ± 2. | K | AVG | N/A | Average of 40 out of 43 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 185.1 ± 0.6 | K | AVG | N/A | Average of 11 out of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 185.30 | K | N/A | Messerly, Todd, et al., 1965 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 185.14 | K | N/A | Messerly, Todd, et al., 1965 | Metastable crystal phase; Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 184.6 | K | N/A | Huffman, Parks, et al., 1931 | Uncertainty assigned by TRC = 0.25 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 660.5 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 660.5 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 660.05 | K | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tc | 660.45 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.1 K; Visual, PRT, IPTS-48, with decomp.; TRC |
Tc | 661.0 | K | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 28.9 ± 0.4 | bar | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 28.87 | bar | N/A | Ambrose, Broderick, et al., 1967 | Uncertainty assigned by TRC = 0.07 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.497 | l/mol | N/A | Tsonopoulos and Ambrose, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.01 ± 0.04 | mol/l | N/A | Tsonopoulos and Ambrose, 1995 | |
ρc | 2.009 | mol/l | N/A | Simon, 1957 | Uncertainty assigned by TRC = 0.075 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 51.37 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 50.8 | kJ/mol | N/A | Ru«7825»icka, Zábranský, et al., 1994 | AC |
ΔvapH° | 50.1 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 51.0 ± 2.9 | kJ/mol | V | Messerly, Todd, et al., 1965, 2 | ALS |
ΔvapH° | 50.1 | kJ/mol | N/A | Prosen, Johnson, et al., 1946 | DRB |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
38.87 | 456.4 | N/A | Majer and Svoboda, 1985 | |
47.4 ± 0.2 | 350. | EB | Steele, Chirico, et al., 2002 | Based on data from 343. to 501. K. See also Verevkin, 2006.; AC |
43.5 ± 0.2 | 410. | EB | Steele, Chirico, et al., 2002 | Based on data from 343. to 501. K.; AC |
40.6 ± 0.4 | 450. | EB | Steele, Chirico, et al., 2002 | Based on data from 343. to 501. K.; AC |
37.5 ± 0.7 | 490. | EB | Steele, Chirico, et al., 2002 | Based on data from 343. to 501. K.; AC |
53.5 | 258. | N/A | Kasehgari, Mokbel, et al., 1993 | Based on data from 243. to 403. K.; AC |
45.7 | 384. | A | Stephenson and Malanowski, 1987 | Based on data from 369. to 463. K. See also Forziati, Norris, et al., 1949.; AC |
48.0 ± 0.1 | 343. | C | Svoboda, Charvátová, et al., 1982 | AC |
46.8 ± 0.1 | 358. | C | Svoboda, Charvátová, et al., 1982 | AC |
46.0 ± 0.1 | 368. | C | Svoboda, Charvátová, et al., 1982 | AC |
45.2 | 389. | N/A | Linek, Fried, et al., 1965 | Based on data from 374. to 454. K. See also Boublik, Fried, et al., 1984.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
343. to 368. | 73.64 | 0.3425 | 660.5 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
369.38 to 457.48 | 4.10808 | 1577.965 | -71.772 | Forziati, Norris, et al., 1949, 2 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.22 | 185.3 | Domalski and Hearing, 1996 | AC |
10.979 | 184.6 | Huffman, Parks, et al., 1931, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
59.5 | 184.6 | Huffman, Parks, et al., 1931, 2 | DH |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
11.259 | 185.14 | crystaline, II | liquid | Messerly, Todd, et al., 1965, 3 | Metastable crystals.; DH |
11.221 | 185.30 | crystaline, I | liquid | Messerly, Todd, et al., 1965, 3 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
60.81 | 185.14 | crystaline, II | liquid | Messerly, Todd, et al., 1965, 3 | Metastable; DH |
60.56 | 185.30 | crystaline, I | liquid | Messerly, Todd, et al., 1965, 3 | DH |
Gas phase ion energetics data
Go To: Top, 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.69 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 791.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 764.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.68 | EI | McLoughlin, Morrison, et al., 1979 | LLK |
8.71 ± 0.01 | EQ | Lias and Ausloos, 1978 | LLK |
8.69 | PI | Price, Bralsford, et al., 1959 | RDSH |
8.69 ± 0.01 | PI | Watanabe, 1957 | RDSH |
8.69 ± 0.05 | PE | Nagy-Felsobuki and Peel, 1979 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C7H7+ | 10.67 ± 0.35 | C3H7 | CAD | Katritzky, Watson, et al., 1990 | LL |
C7H7+ | 9.93 | C3H7 | EI | McLoughlin, Morrison, et al., 1979 | LLK |
C7H8+ | 9.78 ± 0.35 | C3H6 | CAD | Katritzky, Watson, et al., 1990 | LL |
C7H8+ | 10.3 ± 0.1 | C3H6 | EI | Burgers, Terlouw, et al., 1982 | LBLHLM |
C7H8+ | 9.73 ± 0.04 | C3H6 | PI | McLoughlin, Morrison, et al., 1978 | LLK |
C7H8+ | 10.1 ± 0.1 | C3H6 | EI | Lightner, Majeti, et al., 1972 | LLK |
C8H9+ | 9.98 | C2H5 | EI | McLoughlin, Morrison, et al., 1979 | LLK |
Gas Chromatography
Go To: Top, 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 | DB-1 | 140. | 1058. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He |
Capillary | DB-1 | 60. | 1039. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He |
Capillary | CP Sil 2 | 80. | 1043.0 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-101 | 150. | 1062.9 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 1072.4 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | HP-1 | 60. | 1037. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 1037. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1046. | Dimov and Mekenyan, 1989 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1047. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1047. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
Capillary | Squalane | 100. | 1036. | Nabivach and Vasiliev, 1987 | |
Capillary | OV-101 | 145. | 1069. | Grinberg, Tokarev, et al., 1984 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 145. | 1067. | Grinberg, Tokarev, et al., 1984 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1046. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 1048. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 100. | 1046. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 110. | 1049. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | OV-101 | 90. | 1043. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
Capillary | SE-30 | 70. | 1039.6 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 130. | 1058. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 1041. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 100. | 1048. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 120. | 1054. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 140. | 1060. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | Squalane | 86. | 1032.3 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1034.9 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1048.1 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 1053.6 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 140. | 1060.0 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | SE-30 | 65. | 1037.4 | Kuchhal, Kumar, et al., 1980 | |
Capillary | Squalane | 80. | 1029.4 | Kuchhal, Kumar, et al., 1980 | Column length: 45.7 m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 1027. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 86. | 1032.3 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1034.9 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 1037. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 80. | 1029.42 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 110. | 1051. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 120. | 1056. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Packed | SE-30 | 130. | 1059. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | SE-30 | 130. | 1057. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 140. | 1060. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 150. | 1062. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 160. | 1063. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | SE-30 | 170. | 1066. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 6.1 m; Column diameter: 3.18 mm |
Capillary | Squalane | 100. | 1032. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | SE-30 | 65. | 1037.4 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | Squalane | 100. | 1035.8 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
Capillary | Squalane | 115. | 1040.0 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Capillary | Squalane | 86. | 1033.0 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Packed | Apiezon L | 100. | 1065. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
Packed | Squalane | 120. | 1033. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Squalane | 140. | 1040. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Squalane | 100. | 1035.2 | Evans and Smith, 1967 | H2/N2=3/1, Celite; Column length: 2. m |
Packed | Methyl Silicone | 130. | 1047. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1068. | 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-1 | 1040. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | DB-1 | 1042. | Takeoka, Perrino, et al., 1996 | 60. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C |
Capillary | OV-101 | 1057. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1040. | 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 | 1063. | 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 | 1047.4 | 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 | Squalane | 1039. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified |
Capillary | Squalane | 1044. | 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 | PEG-20M | 70. | 1309.1 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Packed | Carbowax 20M | 140. | 1356.4 | Vernon and Suratman, 1983 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 150. | 1362.1 | Vernon and Suratman, 1983 | He, A silanized white support; Column length: 2. m |
Packed | Carbowax 20M | 160. | 1367.7 | Vernon and Suratman, 1983 | He, A silanized white support; Column length: 2. m |
Capillary | Carbowax 20M | 90. | 1284.0 | Kuchhal, Kumar, et al., 1980 | |
Packed | Carbowax 20M | 115. | 1337.6 | Ellis and Still, 1979 | Chromosorb G |
Capillary | Carbowax 20M | 100. | 1301.9 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Carbowax 20M | 90. | 1284.0 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Packed | Polyethylene Glycol 4000 | 100. | 1328. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 120. | 1335. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 140. | 1343. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Packed | Polyethylene Glycol 4000 | 80. | 1321. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1306. | Umano and Shibamoto, 1987 | He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1058. | Kallio, Jussila, et al., 2006 | 20. m/0.25 mm/0.25 μm, 60. C @ 4. min, 5. K/min, 240. C @ 15. min |
Capillary | CP-Sil 8CB-MS | 1061. | 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 | DB-5 | 1053.7 | 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 | 1053.3 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 1050.1 | 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 | 1053.7 | 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 | 1055.9 | 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-1 | 1036.4 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | HP-5 | 1054. | 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 | 1042.0 | 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 | DB-1 | 1030. | Beens, Tijssen, et al., 1998 | 10. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 30. C; Tend: 225. C |
Capillary | OV-1 | 1043.2 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5 | 1050.1 | 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 | 1053.7 | 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 | 1055.9 | 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 | 1053.7 | 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 | 1053.3 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; Tend: 310. C |
Capillary | DB-1 | 1054. | Yu, Lin, et al., 1994 | 60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 1047. | Peng, Hua, et al., 1992 | 30. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; Tend: 280. C |
Capillary | Petrocol DH | 1041.77 | 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 | 1042.19 | 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 | 1042. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-2 | 1066.4 | Akporhonor, le Vent, et al., 1990 | 25. m/0.2 mm/0.33 μm, N2, 15. K/min; Tstart: 60.01 C |
Capillary | Ultra-2 | 1056.4 | Akporhonor, le Vent, et al., 1990 | 25. m/0.2 mm/0.33 μm, N2, 2. K/min; Tstart: 60.01 C |
Capillary | Ultra-2 | 1062.2 | Akporhonor, le Vent, et al., 1990 | 25. m/0.2 mm/0.33 μm, N2, 7. K/min; Tstart: 60.01 C |
Capillary | Ultra-2 | 1078. | Akporhonor, le Vent, et al., 1990 | 25. m/0.2 mm/0.33 μm, N2, 15. K/min; Tstart: 120.01 C |
Capillary | Ultra-2 | 1071.8 | Akporhonor, le Vent, et al., 1990 | 25. m/0.2 mm/0.33 μm, N2, 2. K/min; Tstart: 120.01 C |
Capillary | Ultra-2 | 1074.5 | Akporhonor, le Vent, et al., 1990 | 25. m/0.2 mm/0.33 μm, N2, 7. K/min; Tstart: 120.01 C |
Capillary | DB-5 | 1051. | 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 | 1037.42 | 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 | 1040.68 | 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 | 1043.02 | 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 | 1054.18 | 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 | 1057.89 | 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 | 1060.55 | 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 | 1040. | 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 | CP Sil 8 CB | 1061. | Oruna-Concha, Bakker, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Capillary | DB-1 | 1024. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Capillary | Methyl Silicone | 1066.87 | 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 | 1044. | Mattinen, Tuominen, et al., 1995 | 30. m/0.32 mm/1. μm, He; Program: 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min) |
Packed | SE-30 | 1058. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1322. | 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 | 1324. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | HP-Wax | 1325. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Capillary | DB-Wax | 1304. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1308. | Chung, Eiserich, et al., 1994 | He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 1306. | Peng, Hua, et al., 1992 | 30. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min |
Capillary | Carbowax 20M | 1280. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Capillary | Carbowax 20M | 1284. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Polydimethyl siloxane | 105. | 1049. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 75. | 1040. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Polydimethyl siloxane | 90. | 1044. | Tello, Lebron-Aguilar, et al., 2009 | |
Capillary | Methyl Silicone | 100. | 1048. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 1054. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 1060. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 1042. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 1054. | Chen and Feng, 2006 | |
Capillary | OV-101 | 100. | 1046. | Gerasimenko and Nabivach, 1995 | 50. m/0.30 mm/0.26 μm, Nitrogen |
Capillary | OV-101 | 100. | 1047. | Gerasimenko and Nabivach, 1995 | 50. m/0.30 mm/0.26 μm, Nitrogen |
Capillary | OV-101 | 100. | 1047. | Gerasimenko and Nabivach, 1995 | 50. m/0.30 mm/0.26 μm, Nitrogen |
Capillary | OV-101 | 100. | 1047. | Gerasimenko and Nabivach, 1995 | 50. m/0.30 mm/0.26 μm, Nitrogen |
Capillary | OV-101 | 100. | 1048. | Gerasimenko and Nabivach, 1995 | 50. m/0.30 mm/0.26 μm, Nitrogen |
Capillary | Squalane | 95.4 | 1026. | Sojak and Vigdergauz, 1978 | H2 |
Capillary | Squalane | 110. | 1038. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 130. | 1045. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Polydimethyl siloxane | 110. | 1052. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1051. | 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 | 1053. | 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 | 1047. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | DB-1 | 1046. | Zenkevich, Ukolov, et al., 2011 | 30. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C |
Capillary | 5 % Phenyl methyl siloxane | 1058. | Hussam, Alauddin, et al., 2002 | 15. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 2. min; Tstart: 40. C |
Capillary | BP-1 | 1052. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | DB-5MS | 1046.3 | Shoenmakers, Oomen, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C |
Capillary | OV-1 | 1045. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
Capillary | HP-5 | 1062.9 | 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 | Ultra-2 | 1069. | King, Hamilton, et al., 1993 | 50. m/0.32 mm/0.52 μm, He, 40. C @ 3. min, 4. K/min, 250. C @ 30. min |
Capillary | DB-1 | 1045. | 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 | 1039. | 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 | DB-5 | 1068. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | DB-5 | 1067. | Macku and Shibamoto, 1991, 2 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Capillary | OV-101 | 1045. | 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 | OV-101 | 1041. | Stern, Flath, et al., 1985 | 50. C @ 0.1 min, 4. K/min, 225. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1054. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1058. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1064. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Methyl Silicone | 1055. | 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 | Polymethylsiloxane, (PMS-20000) | 1040. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | DB-5 MS | 1022. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | OV-101 | 1048. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 1048. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 1046. | Zenkevich, 1999 | Program: not specified |
Capillary | Methyl Silicone | 1047. | Zenkevich and Tsibulskaya, 1997 | Program: not specified |
Capillary | DB-1 | 1058. | Peng, 1996 | 30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min) |
Capillary | SE-30 | 1040. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | SE-30 | 1048. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | Polydimethyl siloxanes | 1047. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | DB-1 | 1041. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 1046. | Dimov, Osman, et al., 1994 | Program: not specified |
Capillary | OV-101 | 1048. | Matisová, Juranyiová, et al., 1991 | 52. m/0.25 mm/0.38 μm, H2; Program: 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C |
Capillary | Squalane | 1036.2 | Dimov and Mekenyan, 1989 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1040. | 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. | 1041. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Methyl Silicone | 1047. | Bonchev, Mekenjan, et al., 1979 | Program: not specified |
Packed | Squalane | 1033. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 100. | 1320. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 100. | 1321. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 120. | 1332. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 140. | 1348. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 160. | 1359. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 80. | 1310. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | Carbowax 20M | 90. | 1284. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1269. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | DB-Wax | 1301. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 1323. | Chung, Eiserich, et al., 1993 | 60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | Carbowax 20M | 1271. | Herain, MRAVEC, et al., 1991 | 70. C @ 21. min, 5. K/min, 150. C @ 999. min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1310. | Gyawali and Kim, 2012 | 60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C |
Capillary | DB-Wax | 1312. | Gyawali and Kim, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) |
Capillary | Supelcowax-10 | 1319. | 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 | DB-Wax | 1310. | Gyawalia, Seo, et al., 2006 | 60. m/0.2 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C |
Capillary | Supelcowax-10 | 1297. | Vichi, Pizzale, et al., 2005 | 30. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C |
Capillary | DB-Wax | 1310. | 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 | 1309. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | Carbowax 20M | 1284. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
Capillary | FFAP | 1338. | Lopez, Lavilla, et al., 2000 | 50. m/0.2 mm/0.33 μm, N2; Program: 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) |
Capillary | FFAP | 1338. | López, Lavilla, et al., 1998 | 50. m/0.2 mm/0.33 μm, N2; Program: 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) |
Capillary | DB-Wax | 1312. | Peng, 1996 | 30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min) |
Capillary | PEG-20M | 1309. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | DB-Wax | 1312. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 1316. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 20M | 1291. | 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-5MS | 170. | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
References
Go To: Top, 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
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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