Cyclopentane
- Formula: C5H10
- Molecular weight: 70.1329
- IUPAC Standard InChIKey: RGSFGYAAUTVSQA-UHFFFAOYSA-N
- CAS Registry Number: 287-92-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Pentamethylene; UN 1146
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Gas phase thermochemistry data
Go To: Top, 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 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 | -76.40 ± 0.79 | kJ/mol | Ccb | McCullough, Pennington, et al., 1959 | ALS |
ΔfH°gas | -76.9 | kJ/mol | N/A | Spitzer and Huffman, 1947 | Value computed using ΔfHliquid° value of -105.6±1.8 kj/mol from Spitzer and Huffman, 1947 and ΔvapH° value of 28.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
ΔfH°gas | -77.24 ± 0.75 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
37.58 | 50. | Dorofeeva O.V., 1986 | Recommended values are in good agreement with those calculated by [ Kilpatrick J.E., 1947, McCullough J.P., 1959] at low temperatures. The discrepancies increase at higher temperatures and amount to 1.8 J/mol*K for S(1500 K) and 2.1 J/mol*K for Cp(1500 K) obtained by [ McCullough J.P., 1959]. Calculation [ Sundaram S., 1963] seems to be incorrect because discrepancies with these data reach 23 and 7 J/mol*K for S(T) and Cp(T), respectively.; GT |
40.18 | 100. | ||
45.30 | 150. | ||
54.19 | 200. | ||
74.48 | 273.15 | ||
82.8 ± 2.0 | 298.15 | ||
83.39 | 300. | ||
118.15 | 400. | ||
150.05 | 500. | ||
177.07 | 600. | ||
199.70 | 700. | ||
218.80 | 800. | ||
235.02 | 900. | ||
248.88 | 1000. | ||
260.76 | 1100. | ||
270.96 | 1200. | ||
279.75 | 1300. | ||
287.34 | 1400. | ||
293.92 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
93.96 ± 0.19 | 329.05 | McCullough J.P., 1959 | Please also see Spitzer R., 1946.; GT |
102.01 ± 0.84 | 353. | ||
108.16 ± 0.84 | 372. | ||
117.3 ± 1.3 | 395. | ||
117.09 ± 0.23 | 395.05 | ||
126.3 ± 1.3 | 424. | ||
138.7 ± 1.3 | 463. | ||
139.47 ± 0.28 | 463.10 | ||
150.7 ± 1.7 | 503. | ||
160.1 ± 1.7 | 539. |
Phase change data
Go To: Top, Gas phase thermochemistry 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 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 | 322.4 ± 0.3 | K | AVG | N/A | Average of 34 out of 39 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 179.2 ± 0.8 | K | AVG | N/A | Average of 26 out of 27 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 179.71 | K | N/A | Douslin and Huffman, 1946 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; To = 273.16 K; TRC |
Ttriple | 179.71 | K | N/A | Douslin and Huffman, 1946 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.007 K; To = 273.16 K; TRC |
Ttriple | 179.69 | K | N/A | Aston, Finke, et al., 1943 | Uncertainty assigned by TRC = 0.08 K; TRC |
Ttriple | 179.0 | K | N/A | Jacobs and Parks, 1934 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 511.7 ± 0.2 | K | N/A | Daubert, 1996 | |
Tc | 511.6 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 511.7 | K | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 511.6 | K | N/A | Ambrose and Grant, 1957 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tc | 511.75 | K | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.1 ± 0.4 | bar | N/A | Daubert, 1996 | |
Pc | 45.08 | bar | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.4053 bar; TRC |
Pc | 44.30 | bar | N/A | Ambrose and Grant, 1957 | Uncertainty assigned by TRC = 0.5066 bar; TRC |
Pc | 45.1403 | bar | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.0506 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.259 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.85 ± 0.04 | mol/l | N/A | Daubert, 1996 | |
ρc | 3.850 | mol/l | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.06 mol/l; TRC |
ρc | 3.85 | mol/l | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.8 ± 0.6 | kJ/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.3 | 322.4 | N/A | Majer and Svoboda, 1985 | |
29.213 | 298.15 | N/A | Aston, Fink, et al., 1943 | P = 41.10 kPa; DH |
29.2 | 295. | A | Stephenson and Malanowski, 1987 | Based on data from 280. to 331. K.; AC |
28.0 | 337. | A | Stephenson and Malanowski, 1987 | Based on data from 322. to 384. K.; AC |
27.2 | 396. | A | Stephenson and Malanowski, 1987 | Based on data from 381. to 455. K.; AC |
27.5 | 467. | A | Stephenson and Malanowski, 1987 | Based on data from 452. to 511. K.; AC |
27.9 ± 0.1 | 310. | C | McCullough, Pennington, et al., 1959 | AC |
27.3 ± 0.1 | 322. | C | McCullough, Pennington, et al., 1959 | AC |
27.4 | 323. | N/A | Spitzer and Pitzer, 1946 | AC |
29.0 | 304. | MM | Willingham, Taylor, et al., 1945 | Based on data from 289. to 323. K.; 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 |
---|---|---|---|---|---|
298. to 323. | 41.64 | 0.2597 | 511.6 | Majer and Svoboda, 1985 |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
97.98 | 298.15 | Aston, Fink, et al., 1943 | P; DH |
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 | Comment |
---|---|---|---|---|---|
288.86 to 323.18 | 4.00288 | 1119.208 | -42.412 | Williamham, Taylor, et al., 1945 | |
225.90 to 287.39 | 4.24714 | 1235.305 | -30.666 | Aston, Fink, et al., 1943 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
42.6 | 122. | B | Bondi, 1963 | AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.6 | 179.7 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
5.195 | 121.95 | crystaline, III | crystaline, II | Rahm and Gmelin, 1992 | DH |
0.361 | 138.22 | crystaline, II | crystaline, I | Rahm and Gmelin, 1992 | DH |
0.615 | 179.21 | crystaline, I | liquid | Rahm and Gmelin, 1992 | DH |
4.8844 | 122.36 | crystaline, III | crystaline, II | Szasz, Morrison, et al., 1947 | DH |
0.3427 | 138.07 | crystaline, II | crystaline, I | Szasz, Morrison, et al., 1947 | Temperature from 43AST/FIN.; DH |
0.6038 | 179.69 | crystaline, I | liquid | Szasz, Morrison, et al., 1947 | Temperature from 43AST/FIN.; DH |
4.8840 | 122.39 | crystaline, III | crystaline, II | Douslin and Huffman, 1946, 2 | DH |
0.34443 | 138.09 | crystaline, II | crystaline, I | Douslin and Huffman, 1946, 2 | DH |
0.60894 | 179.71 | crystaline, I | liquid | Douslin and Huffman, 1946, 2 | DH |
4.874 | 122.39 | crystaline, III | crystaline, II | Aston, Fink, et al., 1943 | DH |
0.3464 | 138.07 | crystaline, II | crystaline, I | Aston, Fink, et al., 1943 | DH |
0.602 | 179.69 | crystaline, I | liquid | Aston, Fink, et al., 1943 | DH |
4.745 | 121.6 | crystaline, III | crystaline, II | Jacobs and Parks, 1934, 2 | DH |
0.3582 | 137.1 | crystaline, II | crystaline, I | Jacobs and Parks, 1934, 2 | DH |
0.6046 | 179.0 | crystaline, I | liquid | Jacobs and Parks, 1934, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
39.92 | 122.36 | crystaline, III | crystaline, II | Szasz, Morrison, et al., 1947 | DH |
2.48 | 138.07 | crystaline, II | crystaline, I | Szasz, Morrison, et al., 1947 | Temperature; DH |
3.36 | 179.69 | crystaline, I | liquid | Szasz, Morrison, et al., 1947 | Temperature; DH |
39.91 | 122.39 | crystaline, III | crystaline, II | Douslin and Huffman, 1946, 2 | DH |
2.49 | 138.09 | crystaline, II | crystaline, I | Douslin and Huffman, 1946, 2 | DH |
3.38 | 179.71 | crystaline, I | liquid | Douslin and Huffman, 1946, 2 | DH |
39.82 | 122.39 | crystaline, III | crystaline, II | Aston, Fink, et al., 1943 | DH |
2.51 | 138.07 | crystaline, II | crystaline, I | Aston, Fink, et al., 1943 | DH |
3.35 | 179.69 | crystaline, I | liquid | Aston, Fink, et al., 1943 | DH |
39.02 | 121.6 | crystaline, III | crystaline, II | Jacobs and Parks, 1934, 2 | DH |
2.61 | 137.1 | crystaline, II | crystaline, I | Jacobs and Parks, 1934, 2 | DH |
3.38 | 179.0 | crystaline, I | liquid | Jacobs and Parks, 1934, 2 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change 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
B - John E. Bartmess
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -112.7 ± 0.54 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane; ALS |
ΔrH° | -112. ± 0.8 | kJ/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane; ALS |
ΔrH° | -109.0 ± 1.8 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid; ALS |
ΔrH° | -110. ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon; ALS |
ΔrH° | -111.6 ± 0.3 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -112.6 ± 0.3 kJ/mol; At 355 °K; ALS |
C5H9- + =
By formula: C5H9- + H+ = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1741. ± 8.4 | kJ/mol | Bran | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrH° | 1750. ± 8.4 | kJ/mol | Bran | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1705. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1714. ± 8.8 | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -235. ± 0.4 | kJ/mol | Chyd | Roth, Klarner, et al., 1980 | liquid phase; solvent: Heptane; ALS |
ΔrH° | -230.7 ± 1.5 | kJ/mol | Chyd | Turner, Goebel, et al., 1968 | liquid phase; solvent: Acetic acid; ALS |
By formula: 2H2 + C5H6 = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -210.8 ± 0.84 | kJ/mol | Chyd | Kistiakowsky, Ruhoff, et al., 1936 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -212.8 ± 0.84 kJ/mol; At 355 °K; ALS |
By formula: 2H2 + C5H6 = C5H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -410. ± 2. | kJ/mol | Chyd | Roth, Klarner, et al., 1980 | liquid phase; solvent: Heptane; ALS |
By formula: C5H10 + I2 = 2HI + C5H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 102.1 | kJ/mol | Eqk | Furuyama, Golden, et al., 1970 | gas phase; ALS |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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-1334 |
NIST MS number | 228237 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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 |
---|---|---|---|---|---|
Packed | SE-30 | 160. | 572. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m |
Packed | Apiezon L | 160. | 587. | Kurbatova, Finkelstein, et al., 2004 | Chromaton N-AW; Column length: 1. m; Large deviations from similar measurements |
Packed | C78, Branched paraffin | 130. | 587.7 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | OV-101 | 0. | 558. | Skrbic, 1997 | |
Capillary | BPX-5 | 30. | 572. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | BPX-5 | 30. | 573. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | CP Sil 2 | 60. | 574.3 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-101 | 150. | 582.4 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 591.0 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 562. | Hilal, Carreira, et al., 1994 | |
Capillary | DB-1 | 60. | 567.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 568.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 568.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 568.3 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 568.4 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | CP Sil 5 CB | 20. | 562.6 | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Packed | C78, Branched paraffin | 130. | 587.6 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Packed | Apolane | 130. | 588. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | OV-101 | 40. | 565. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 568. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 572. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 566.2 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 587.9 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 50. | 566.5 | Papazova, Milina, et al., 1988 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 40. | 565.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 566.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 569.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 569.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 100. | 574.5 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Capillary | OV-101 | 30. | 563. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 565. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 566. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 568. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 570. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 572. | Chien, Furio, et al., 1983 | |
Capillary | DB-1 | 60. | 567.8 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 568.3 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Packed | SE-30 | 100. | 577. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Capillary | OV-1 | 50. | 566. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | SE-30 | 130. | 582. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 570. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 50. | 567. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 566. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 565. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Packed | Squalane | 100. | 568. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 86. | 568.8 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 50. | 565.55 | Pacáková and Koslík, 1978 | 50. m/0.2 mm/0.5 μm, N2 |
Capillary | Squalane | 40. | 563.3 | Stopp, Engewald, et al., 1978 | Column length: 70. m; Column diameter: 0.23 mm |
Packed | Apolane | 70. | 575.9 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 100. | 573. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 576. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 567. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 570. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 566. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 568. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 573. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 588. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 50. | 566. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 50. | 567. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 568. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 568. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Squalane | 86. | 572. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 568. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 570. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 571. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 573. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 574. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 566.3 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 571. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Vacuum Grease Oil (VM-4) | 35. | 568. | Sidorov, Ivanova, et al., 1971 | |
Capillary | Squalane | 70. | 568. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 568. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 568. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 130. | 572. | Mitra and Saha, 1970 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 27. | 563. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 566. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 569. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 572. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 22. | 562. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 563. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 564. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 568. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 570. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Capillary | Squalane | 120. | 578. | Schomburg, 1966 | |
Capillary | Squalane | 80. | 568. | Schomburg, 1966 | |
Packed | Methyl Silicone | 130. | 562. | Antheaume and Guiochon, 1965 | |
Packed | Squalane | 150. | 599. | Schomburg, 1964 | |
Packed | Apiezon L | 130. | 587. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 571. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 557. | 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 | 576. | 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 | 566.5 | 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 | 563. | 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 |
---|---|---|---|---|---|
Packed | PEG-2000 | 150. | 694. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 700. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 710. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 698. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 700. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 720. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 553.7 | 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 | SPB-1 | 580.29 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | DB-5 | 563.2 | 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 | OV-101 | 556.6 | 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 | Petrocol DH | 554.33 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 554.33 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 554.13 | 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 | 554.24 | 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 | 554. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | OV-101 | 557. | 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 | DB-1 | 559. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Packed | SE-30 | 564. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Packed | SE-30 | 564. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 565. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | SE-54 | 50. | 571. | Xieyun, Maoqi, et al., 1996 | N2; Column length: 40. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 566. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 566. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 569. | Wu and Lu, 1984 | |
Packed | Synachrom | 150. | 520. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 524. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Capillary | Squalane | 86. | 560. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 560. | 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 | 564. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | BP-1 | 562. | 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 | 554.5 | 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-101 | 564. | 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 | 554. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 527. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 562. | Chen, 2008 | Program: not specified |
Capillary | Methyl Silicone | 563. | 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 | Apiezon L | 587. | Finkelstein, Kurbatova, et al., 2002 | Program: not specified |
Capillary | PONA | 566. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
Capillary | Methyl Silicone | 587. | N/A | Program: not specified |
Capillary | DB-1 | 568. | Zhu and Wang, 2001 | Program: not specified |
Capillary | Methyl Silicone | 570. | Zenkevich, 2000 | Program: not specified |
Capillary | Methyl Silicone | 564. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 570. | Zenkevich, 1998 | Program: not specified |
Capillary | Methyl Silicone | 570. | Zenkevich, 1996 | Program: not specified |
Capillary | DB-1 | 560. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 558. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | SPB-1 | 533. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SE-52 | 572. | 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. | 557. | 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. | 570. | 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. | 577. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 573. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 564. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 573. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
Packed | Squalane | 564. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry 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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The thermodynamics and molecular structure of cyclopentane,
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Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: verification of the concept of pseudorotation,
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Thermodynamic functions of some propellants,
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The Heat Capacity of Gaseous Cyclopentane, Cyclohexane and Methylcyclohexane,
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Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
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A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring,
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Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E.,
Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons,
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Stabilization of Cycloalkyl Carbanions in the Gas Phase,
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Roth, W.R.; Klarner, F.-G.; Lennartz, H.-W.,
Heats of hydrogenation. II. Heat of hydrogenation of bicyclo[2.1.0]pent-2-ene, an antiaromatic system,
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Turner, R.B.; Goebel, P.; Mallon, B.J.; Doering, W.E.; Coburn, J.F., Jr.; Pomerantz, M.,
Heats of hydrogenation. VIII. Compounds with three- and four-membered rings,
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Kistiakowsky, G.B.; Ruhoff, J.R.; Smith, H.A.; Vaughan, W.E.,
Heats of organic reactions. IV. Hydrogenation of some dienes and of benzene,
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Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
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Kurbatova, S.V.; Finkelstein, E.E.; Kolosova, E.A.; Kartashev, A.V.; Rashkin, S.V.,
Structural analogy method in studies of adamantanes,
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Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
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. [all data]
Skrbic, 1997
Skrbic, B.D.,
Unified retention concept -- statistical treatment of Kováts retention index,
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. [all data]
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Aflalaye, A.; Sternberg, R.; Raulin, F.; Vidal-Madjar, C.,
Gas chromatography of Titan's atmosphere. VI. Analysis of low-molecular-mass hydrocarbons and nitriles with BPX5 capillary columns,
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. [all data]
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Estel, D.; Mohnke; Biermans; Rotzsche,
The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column,
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. [all data]
Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J.,
Prediction of retention indices of various compounds in gas-liquid chromatography,
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Hilal, Carreira, et al., 1994
Hilal, S.H.; Carreira, L.A.; Karickhoff, S.W.; Melton, C.M.,
Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure,
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. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas 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 ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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