Cyclopentane, methyl-
- Formula: C6H12
- Molecular weight: 84.1595
- IUPAC Standard InChIKey: GDOPTJXRTPNYNR-UHFFFAOYSA-N
- CAS Registry Number: 96-37-7
- 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: Methylcyclopentane; UN 2298
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -106.0 | kJ/mol | N/A | Good and Smith, 1969 | Value computed using ΔfHliquid° value of -137.7±0.7 kj/mol from Good and Smith, 1969 and ΔvapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
ΔfH°gas | -106.7 ± 0.84 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°gas | -108.1 | kJ/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -139.8±1.7 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
43.31 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values of S(T) and Cp(T) are in close agreement with those calculated by [ Scott D.W., 1960] at low temperatures. Discrepancies increase up to 1.8 J/mol*K at 1000-1500 K.; GT |
53.01 | 100. | ||
62.63 | 150. | ||
74.75 | 200. | ||
99.62 | 273.15 | ||
109.5 | 298.15 | ||
110.3 | 300. | ||
151.5 | 400. | ||
188.9 | 500. | ||
220.3 | 600. | ||
246.6 | 700. | ||
268.6 | 800. | ||
287.4 | 900. | ||
303.4 | 1000. | ||
317.1 | 1100. | ||
328.9 | 1200. | ||
339.0 | 1300. | ||
347.8 | 1400. | ||
355.4 | 1500. | ||
370.4 | 1750. | ||
381.1 | 2000. | ||
389.1 | 2250. | ||
395.1 | 2500. | ||
399.7 | 2750. | ||
403.3 | 3000. |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
124.24 ± 0.25 | 333.20 | McCullough J.P., 1959 | GT |
136.21 ± 0.27 | 362.55 | ||
152.15 ± 0.30 | 402.35 | ||
165.21 ± 0.33 | 436.25 | ||
178.17 ± 0.36 | 471.05 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -137.7 ± 0.71 | kJ/mol | Ccb | Good and Smith, 1969 | ALS |
ΔfH°liquid | -138.4 ± 0.84 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°liquid | -139.8 ± 1.7 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -141.1 kJ/mol; see Moore and Parks, 1939; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3938.3 ± 0.59 | kJ/mol | Ccb | Good and Smith, 1969 | Corresponding ΔfHºliquid = -137.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3937.7 ± 0.75 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -138.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3936.2 ± 1.7 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3934.5 ± 1.7 kJ/mol; see Moore and Parks, 1939; Corresponding ΔfHºliquid = -139.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -3956. | kJ/mol | Ccb | Zubova, 1901 | Corresponding ΔfHºliquid = -120. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 247.78 | J/mol*K | N/A | Douslin and Huffman, 1946 | DH |
S°liquid | 247.7 | J/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 57.86 J/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
157.66 | 293.15 | Siddiqi, Svejda, et al., 1983 | DH |
159.12 | 299.8 | Connolly, Sage, et al., 1951 | T = 80 to 200°F.; DH |
158.70 | 298.15 | Douslin and Huffman, 1946 | T = 12 to 300 K.; DH |
157.3 | 295.7 | Huffman, Parks, et al., 1931 | T = 92 to 294 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Henry's Law data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
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 | 345.0 ± 0.2 | K | AVG | N/A | Average of 35 out of 41 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 131. ± 1. | K | AVG | N/A | Average of 30 out of 35 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 130.5 ± 0.6 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 532.7 ± 0.2 | K | N/A | Daubert, 1996 | |
Tc | 532.7 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 532.73 | K | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tc | 532.7 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.2 K; Vis, PRT, IPTS-48; TRC |
Tc | 532.76 | K | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.9 ± 0.4 | bar | N/A | Daubert, 1996 | |
Pc | 37.84 | bar | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.4053 bar; TRC |
Pc | 37.8591 | bar | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.0506 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.318 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 3.14 ± 0.04 | mol/l | N/A | Daubert, 1996 | |
ρc | 3.137 | mol/l | N/A | Kudchadker, Alani, et al., 1968 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 3.14 | mol/l | N/A | Kay, 1947 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 31.7 ± 0.1 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.08 | 345. | N/A | Majer and Svoboda, 1985 | |
31.4 | 315. | N/A | Sapei, Uusi-Kyyny, et al., 2010 | Based on data from 300. to 345. K.; AC |
31.9 | 303. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 288. to 346. K. See also Willingham, Taylor, et al., 1945.; AC |
31.33 ± 0.02 | 304. | V | McCullough, Pennington, et al., 1959 | ALS |
31.3 ± 0.1 | 304. | C | McCullough, Pennington, et al., 1959 | AC |
30.2 ± 0.1 | 326. | C | McCullough, Pennington, et al., 1959 | AC |
29.1 ± 0.1 | 345. | C | McCullough, Pennington, et al., 1959 | 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 345. | 45.98 | 0.271 | 532.7 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
288.18 to 345.78 | 3.98773 | 1186.059 | -47.108 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.9287 | 130.73 | Douslin and Huffman, 1946 | DH |
6.93 | 130.7 | Domalski and Hearing, 1996 | AC |
6.883 | 130.1 | Huffman, Parks, et al., 1931 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
53.00 | 130.73 | Douslin and Huffman, 1946 | DH |
52.9 | 130.1 | Huffman, Parks, et al., 1931 | DH |
Henry's Law data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.0028 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0028 | L | N/A | ||
0.0028 | V | N/A |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PMS-1000 | 90. | 648. | Arutyunov, Kudryashov, et al., 2004 | N2, Chromaton N-AW-DMCS; Column length: 2. m |
Capillary | OV-101 | 40. | 625.4 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 629.1 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 0. | 619. | Skrbic, 1997 | |
Capillary | OV-101 | 0. | 620. | Skrbic, 1997 | |
Capillary | CP Sil 2 | 60. | 635.1 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-101 | 150. | 648.4 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 656.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 625. | Hilal, Carreira, et al., 1994 | |
Capillary | DB-1 | 60. | 630.4 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
Capillary | PONA | 60. | 630.5 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | PONA | 60. | 630.6 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
Capillary | DB-1 | 60. | 630.8 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
Capillary | OV-101 | 60. | 630.7 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
Capillary | BP-1 | 0. | 619. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Capillary | OV-1 | 45. | 628.2 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 65. | 631.3 | Guan, Kiraly, et al., 1989 | 20. m/0.32 mm/1.2 μm, He |
Capillary | OV-1 | 45. | 628.2 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | OV-1 | 65. | 631.1 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | Squalane | 50. | 627.9 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | Squalane | 70. | 630.9 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
Capillary | SE-54 | 45. | 632.3 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | SE-54 | 65. | 635.8 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
Capillary | HP-1 | 60. | 630. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 631. | Bangjie, Yijian, et al., 1988 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 40. | 626. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 629. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 632. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 627.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 631. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | BP-1 | 100. | 658. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | BP-1 | 80. | 654. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 100. | 654. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 654. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 40. | 626.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 628.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 630.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 631.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 100. | 638.1 | Anders, Anders, et al., 1985 | 55. m/0.21 mm/0.35 μm, N2 |
Capillary | OV-101 | 30. | 624. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 626. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 627. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 629. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 631. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 633. | Chien, Furio, et al., 1983 | |
Capillary | DB-1 | 60. | 630.4 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 630.8 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-1 | 50. | 628. | Anders, Scheller, et al., 1982 | Column length: 55. m; Column diameter: 0.21 mm |
Capillary | SE-30 | 80. | 634. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 50. | 628. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 628. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 628. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 60. | 626. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Packed | Squalane | 100. | 631. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 50. | 627.8 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 86. | 634.1 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 100. | 636. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 629. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 635.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 635.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 636. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 629. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 633. | Dielmann, Schwengers, et al., 1974 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 628. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 631. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 651. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 647. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 629. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 631. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 632. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 633. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 635. | Sidorov, Petrova, et al., 1972 | |
Packed | Squalane | 50. | 629.0 | Takács, Tálas, et al., 1972 | N2, Chromosorb W; Column length: 3. m |
Capillary | Squalane | 70. | 628.6 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 633. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 635. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | Vacuum Grease Oil (VM-4) | 35. | 629. | Sidorov, Ivanova, et al., 1971 | |
Capillary | Squalane | 70. | 631. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 631. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 631. | Cramers, Rijks, et al., 1970 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 130. | 634. | Mitra and Saha, 1970 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 27. | 624. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 629. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 632. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 635. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 22. | 623. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 624. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 626. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 630. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 631. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Capillary | Squalane | 50. | 633. | Schomburg, 1966 | |
Capillary | Squalane | 80. | 635. | Schomburg, 1966 | |
Packed | Methyl Silicone | 130. | 630. | Antheaume and Guiochon, 1965 | |
Packed | Apiezon L | 130. | 651. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 635. | 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 | 620. | 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 | 634. | 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 | 625.6 | 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 | 625. | 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 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 629. | Engel and Ratel, 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min |
Capillary | Petrocol DH | 623.8 | 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 | 618.00 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | SPB-1 | 618.70 | 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 | 627.3 | 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 | 623.0 | 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 | Petrocol DH | 620.72 | 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 | 620.72 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-1 | 621. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 620.67 | 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 | 620.81 | 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 | 621. | 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 | 627.5 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 625.8 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 625.4 | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Capillary | OV-101 | 620. | 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 | 625. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-54 | 50. | 633. | Xieyun, Maoqi, et al., 1996 | N2; Column length: 40. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 628. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 628. | Wu and Lu, 1984 | |
Capillary | OV-101 | 70. | 631. | Wu and Lu, 1984 | |
Packed | Synachrom | 150. | 600. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Synachrom | 150. | 604. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Capillary | Squalane | 86. | 624. | 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 | 625. | 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 | 621. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 624. | 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 | 5 % Phenyl methyl siloxane | 635. | Ramírez, Estévez, et al., 2004 | 0. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min |
Capillary | BP-1 | 627. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 626. | 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 | 622. | 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 | 626. | 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 | DB-5 | 635. | Macku and Shibamoto, 1991 | He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 623. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | Squalane | 634. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 625. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 651. | Chen, 2008 | Program: not specified |
Capillary | Methyl Silicone | 628. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 627. | 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 | HP-5 | 624. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 624. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | BP-1 | 619.20 | Cooke, Hassoun, et al., 2001 | 50. m/0.25 mm/1. μm, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min) |
Capillary | CP Sil 8 CB | 635. | Duckham, Dodson, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 630. | Zhu and Wang, 2001 | Program: not specified |
Capillary | CP-Sil5 CB MS | 621. | 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 | 627. | Zenkevich, 2000 | Program: not specified |
Capillary | Methyl Silicone | 625. | Spieksma, 1999 | Program: not specified |
Capillary | OV-1 | 629. | Zhu and He, 1999 | Program: not specified |
Capillary | OV-1 | 630. | Zhu and He, 1999 | Program: not specified |
Capillary | SPB-1 | 631. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | DB-1 | 619. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 619. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | OV-101 | 620. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | SPB-1 | 631. | 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 | SPB-1 | 650. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | SE-52 | 628. | 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. | 620. | 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. | 627. | 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. | 629. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 650. | Ramsey and Flanagan, 1982 | Program: not specified |
Packed | SE-30 | 640. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 623. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 640. | 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 | 635. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 675. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Retention indices of hydrocarbons on SE-30,
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On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
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Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure,
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. [all data]
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Steam cracking of hydrocarbons. 1. Pyrolysis of heptane,
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. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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