2-Butene, 2-methyl-
- Formula: C5H10
- Molecular weight: 70.1329
- IUPAC Standard InChIKey: BKOOMYPCSUNDGP-UHFFFAOYSA-N
- CAS Registry Number: 513-35-9
- 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: Trimethylethylene; β-Isoamylene; Amylene; 1,1,2-Trimethylethylene; 2-Methyl-2-butene; 3-Methyl-2-butene; (CH3)2C=CHCH3; 2-Methylbut-2-ene; n-Amylene; Ethylene, trimethyl-; UN 2460; 2-Methylbutene-2; NSC 74118; Isopentene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 | -9.92 ± 0.21 | kcal/mol | Eqk | Wiberg and Hao, 1991 | Heat of hydration; ALS |
ΔfH°gas | -9.80 | kcal/mol | N/A | Good and Smith, 1979 | Value computed using ΔfHliquid° value of -68.1±1.3 kj/mol from Good and Smith, 1979 and ΔvapH° value of 27.1 kj/mol from Wiberg and Hao, 1991.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
26.530 ± 0.079 | 319.04 | Scott D.W., 1949 | GT |
29.391 ± 0.088 | 362.37 | ||
32.010 ± 0.096 | 402.26 | ||
34.19 ± 0.10 | 436.18 | ||
36.34 ± 0.11 | 471.09 |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
25.100 | 298.15 | Scott D.W., 1949 | Recommended results of statistical thermodynamics calculation are in good agreement with experimental data.; GT |
25.220 | 300. | ||
31.931 | 400. | ||
38.069 | 500. | ||
43.420 | 600. | ||
48.040 | 700. | ||
52.051 | 800. | ||
55.521 | 900. | ||
58.549 | 1000. | ||
61.159 | 1100. | ||
63.449 | 1200. | ||
65.418 | 1300. | ||
67.139 | 1400. | ||
68.630 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 | -16.4 ± 0.2 | kcal/mol | Eqk | Wiberg and Hao, 1991 | Heat of hydration; ALS |
ΔfH°liquid | -16.27 ± 0.31 | kcal/mol | Ccb | Good and Smith, 1979 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -795.56 ± 0.30 | kcal/mol | Ccb | Good and Smith, 1979 | Corresponding ΔfHºliquid = -16.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 60.04 | cal/mol*K | N/A | Chao, Hall, et al., 1983 | DH |
S°liquid | 60.000 | cal/mol*K | N/A | Todd, Oliver, et al., 1947 | DH |
S°liquid | 59.49 | cal/mol*K | N/A | Parks and Huffman, 1930 | Extrapolation below 90 K, 13.12 cal/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
36.52 | 298.15 | Chao, Hall, et al., 1983 | T = 13 to 301 K.; DH |
36.520 | 298.15 | Todd, Oliver, et al., 1947 | T = 12 to 300 K.; DH |
34.99 | 293.9 | Parks and Huffman, 1930 | T = 93 to 294 K. Value is unsmoothed experimental datum.; 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 311. ± 1. | K | AVG | N/A | Average of 44 out of 45 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 140. ± 10. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 139.40 | K | N/A | Chao, Hall, et al., 1983, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 139.42 | K | N/A | Todd, Oliver, et al., 1947, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 139.440 | K | N/A | Huffman, 1945 | Uncertainty assigned by TRC = 0.6 K; TRC |
Ttriple | 139.420 | K | N/A | Huffman, 1945 | Uncertainty assigned by TRC = 0.6 K; TRC |
Ttriple | 138.9 | K | N/A | Parks and Huffman, 1930, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 470. ± 1. | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 481. | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 33.8 ± 0.99 | atm | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.534 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 6.48 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 6.48 ± 0.02 | kcal/mol | C | Scott, Waddington, et al., 1949 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.288 | 311.7 | N/A | Majer and Svoboda, 1985 | |
6.79 | 286. | A | Stephenson and Malanowski, 1987 | Based on data from 271. to 343. K.; AC |
6.76 | 291. | N/A | Scott, Waddington, et al., 1949 | Based on data from 276. to 344. K.; AC |
6.57 ± 0.02 | 290. | C | Scott, Waddington, et al., 1949 | AC |
6.29 ± 0.02 | 312. | C | Scott, Waddington, et al., 1949 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
290. to 312. | 9.909 | 0.2688 | 481. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
276.19 to 343.74 | 4.04156 | 1098.619 | -39.889 | Scott, Waddington, et al., 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.811 | 139.40 | Chao, Hall, et al., 1983 | DH |
1.8158 | 139.42 | Todd, Oliver, et al., 1947 | DH |
1.81 | 139.4 | Domalski and Hearing, 1996 | AC |
1.777 | 138.9 | Parks and Huffman, 1930 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
12.99 | 139.40 | Chao, Hall, et al., 1983 | DH |
13.02 | 139.42 | Todd, Oliver, et al., 1947 | DH |
1.28 | 138.9 | Parks and Huffman, 1930 | DH |
Reaction thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: C5H10 = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.6 ± 0.72 | kcal/mol | Eqk | Rihko, Linnekoski, et al., 1994 | liquid phase; solvent: Methanol/H+; ALS |
ΔrH° | -1.9 ± 0.33 | kcal/mol | Eqk | Rihko, Linnekoski, et al., 1994 | liquid phase; solvent: Ethanol/H+; ALS |
By formula: C3H9Si+ + C5H10 = (C3H9Si+ • C5H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 38.2 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; condesation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 48.0 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condesation; M |
By formula: C5H10 + CH4O = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.84 | kcal/mol | Eqk | Serda, Izquierdo, et al., 1995 | liquid phase; ALS |
ΔrH° | -6.41 ± 0.55 | kcal/mol | Eqk | Rihko, Linnekoski, et al., 1994 | liquid phase; solvent: Alcohol/alkane mixture; ALS |
By formula: C5H10 + HCl = C5H11Cl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -14.12 ± 0.22 | kcal/mol | Cm | Arnett and Pienta, 1980 | liquid phase; solvent: Methylene chloride; Hydrochloroination; ALS |
By formula: C5H10 + C2H6O = C7H16O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.5 ± 1.6 | kcal/mol | Eqk | Rihko, Linnekoski, et al., 1994 | liquid phase; solvent: Alcohol/alkane mixture; ALS |
By formula: C5H10 + C2HF3O2 = C7H11F3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -9.11 ± 0.04 | kcal/mol | Cm | Wiberg and Hao, 1991 | liquid phase; Trifluoroacetolysis; ALS |
By formula: C5H10 = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.40 ± 0.35 | kcal/mol | Eqk | Radyuk, Kabo, et al., 1973 | gas phase; Heat of isomerization at 622 K; ALS |
By formula: C5H10 = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.93 ± 0.12 | kcal/mol | Eqk | Radyuk, Kabo, et al., 1973 | gas phase; Heat of isomerization at 562 K; ALS |
By formula: C5H10 + Br2 = C5H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.40 ± 0.20 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: H2 + C5H10 = C5H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -26.68 ± 0.06 | kcal/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; ALS |
By formula: C5H10 + CH4O = C6H14O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -7.84 ± 0.33 | kcal/mol | Eqk | Serda, Izquierdo, et al., 1995 | liquid phase; ALS |
By formula: C7H16O = C5H10 + C2H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.16 ± 0.19 | kcal/mol | Eqk | Sharonov, Rozhnov, et al., 1995 | liquid phase; ALS |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C5H10+ (ion structure unspecified)
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) | 193.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 186.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.69 | PI | Traeger, 1986 | LBLHLM |
8.68 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
8.682 ± 0.003 | PE | Masclet, Grosjean, et al., 1973 | LLK |
8.70 | EI | Lossing, 1972 | LLK |
8.83 ± 0.11 | EI | Gross and Wilkins, 1971 | LLK |
8.72 | PE | Frost and Sandhu, 1971 | LLK |
8.85 ± 0.04 | EI | Bock and Seidl, 1968 | RDSH |
8.67 ± 0.02 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
8.68 | PI | Bralsford, Harris, et al., 1960 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C3H6+ | 11.70 ± 0.11 | C2H4 | EI | Gross and Wilkins, 1971 | LLK |
C4H7+ | 10.80 | CH3 | PI | Traeger, 1986 | LBLHLM |
C4H7+ | 10.84 | CH3 | EI | Brand and Baer, 1984 | LBLHLM |
C4H7+ | 10.84 | CH3 | EI | Lossing, 1972 | LLK |
C4H7+ | 11.33 ± 0.12 | CH3 | EI | Gross and Wilkins, 1971 | LLK |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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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Additional Data
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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 |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-1329 |
NIST MS number | 233774 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 | Methyl Silicone | 30. | 520.2 | Soják, Addová, et al., 2002 | He; Column length: 150. m; Column diameter: 0.250 mm |
Capillary | Squalane | 30. | 513.8 | Soják, Addová, et al., 2002 | He; Column length: 93. m; Column diameter: 0.250 mm |
Capillary | OV-1 | 70. | 515. | Annino and Villalobos, 1999 | 22.6 m/0.53 mm/2.78 μm |
Capillary | CP Sil 5 CB | 20. | 520.1 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Capillary | PoraPLOT Q | 100. | 504. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Capillary | PoraPLOT Q | 160. | 504. | Do and Raulin, 1989 | 10. m/0.32 mm/10. μm, H2 |
Capillary | OV-1 | 45. | 520. | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 65. | 519.8 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 520. | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 519.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 514.3 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 514.4 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | SE-54 | 65. | 523. | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | HP-1 | 60. | 519. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 519. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 40. | 520. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 520. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 520. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 514.5 | Papazova, Milina, et al., 1988 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 50. | 519.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
Capillary | OV-101 | 70. | 520.3 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
Capillary | Squalane | 50. | 514.5 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 514.7 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 42. | 514. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
Capillary | DB-1 | 40. | 520. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
Capillary | HP-PONA | 40. | 520. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Capillary | OV-1 | 50. | 520. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | OV-1 | 40. | 519. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | Squalane | 50. | 514.33 | Pacáková and Koslík, 1978 | 50. m/0.2 mm/0.5 μm, N2 |
Packed | Squalane | 80. | 514. | Chrétien and Dubois, 1977 | |
Capillary | Squalane | 50. | 514. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 526. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 514. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 514. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 27. | 513.75 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 50. | 514.0 | Takács, Tálas, et al., 1972 | N2, Chromosorb W; Column length: 3. m |
Capillary | Squalane | 40. | 507. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 514. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 514. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 515. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 515. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 515. | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 515. | Tourres, 1967 | H2; Column length: 10. m |
Packed | SE-30 | 70. | 522. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Packed | Squalane | 26. | 514. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Packed | Apiezon L | 130. | 526. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 527. | 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 |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 525. | 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 | 523. | 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 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 70. | 614. | Annino and Villalobos, 1999 | 31.3 m/0.53 mm/0.54 μm |
Packed | Carbowax 20M | 130. | 573. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Packed | Carbowax 20M | 70. | 561. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 515.8 | 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 | Methyl Silicone | 518.6 | Soják, Addová, et al., 2002 | He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C |
Capillary | Ultra-1 | 520. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 513.84 | 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 | 514.38 | 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 | 514. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | HP-1 | 520.3 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 519.5 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 520.4 | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 40. | 514.2 | Sojak, Addova, et al., 2000 | He; Column length: 93. m; Column diameter: 0.25 mm |
Capillary | SE-54 | 50. | 530. | Xieyun, Maoqi, et al., 1996 | N2; Column length: 40. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 514. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | Squalane | 70. | 515. | Schomburg, 1966 | |
Packed | Methyl Silicone | 50. | 531. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 519. | 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 | Petrocol DH | 521. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | DB-5 MS | 498. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
Capillary | PONA | 514. | 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 | OV-101 | 522. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | SE-54 | 514. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | DB-1 | 519. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Capillary | DB-1 | 515. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 MS | 502. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 515. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 521. | 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 | Polydimethyl siloxane | 514. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | CP-Sil5 CB MS | 515. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Capillary | Methyl Silicone | 522. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 517. | Zenkevich, 1999 | Program: not specified |
Capillary | OV-1 | 520. | Zhu and He, 1999 | Program: not specified |
Capillary | OV-1 | 520. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-54 | 523. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-54 | 524. | Zhu and He, 1999 | Program: not specified |
Capillary | Polydimethyl siloxanes | 517. | Zenkevich, 1997 | Program: not specified |
Capillary | Polydimethyl siloxanes | 517. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | Methyl Silicone | 517. | Zenkevich, 1996 | Program: not specified |
Capillary | DB-1 | 514. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Packed | SE-30 | 525. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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 Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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 ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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