Pentane, 2,3,4-trimethyl-
- Formula: C8H18
- Molecular weight: 114.2285
- IUPAC Standard InChIKey: RLPGDEORIPLBNF-UHFFFAOYSA-N
- CAS Registry Number: 565-75-3
- 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: 2,3,4-Trimethylpentane; (CH3)2CHCH(CH3)CH(CH3)2
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Gas phase thermochemistry data
Go To: Top, 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 compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -217.4 ± 1.7 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 427.2 ± 1.3 | J/mol*K | N/A | Pitzer K.S., 1941 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
233.50 ± 0.47 | 373.15 | Hossenlopp I.A., 1981 | Please also see Pitzer K.S., 1941, Barrow G.M., 1951.; GT |
246.46 ± 0.49 | 398.15 | ||
248.11 | 402.8 | ||
251.5 ± 2.5 | 417.0 | ||
258.52 ± 0.52 | 423.15 | ||
271.05 ± 0.54 | 448.15 | ||
276.98 | 463.6 | ||
283.03 ± 0.57 | 473.15 | ||
293.98 ± 0.59 | 498.15 | ||
303.34 | 521.6 | ||
304.96 ± 0.61 | 523.15 |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
123.68 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT |
176.19 | 273.15 | ||
191.6 ± 0.6 | 298.15 | ||
192.72 | 300. | ||
247.69 | 400. | ||
294.43 | 500. | ||
334.30 | 600. | ||
369.03 | 700. | ||
398.74 | 800. | ||
424.68 | 900. | ||
447.27 | 1000. | ||
467.35 | 1100. | ||
484.51 | 1200. | ||
502.08 | 1300. | ||
514.63 | 1400. | ||
527.18 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas 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 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 | -255.2 ± 1.7 | kJ/mol | Ccb | Prosen and Rossini, 1945 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -5465.5 ± 1.6 | kJ/mol | Ccb | Prosen and Rossini, 1945 | Corresponding ΔfHºliquid = -255.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 329.32 | J/mol*K | N/A | Pitzer and Scott, 1941 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
247.32 | 298.15 | Osborne and Ginnings, 1947 | T = 278 to 318 K.; DH |
246.23 | 293.79 | Pitzer and Scott, 1941 | T = 14 to 325 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 386.8 ± 0.3 | K | AVG | N/A | Average of 18 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 163.8 ± 0.4 | K | AVG | N/A | Average of 10 out of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 163.63 | K | N/A | Pitzer and Scott, 1941, 2 | Uncertainty assigned by TRC = 0.12 K; measured in calorimeter, extrap. to 1/F=0; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 566.4 ± 0.5 | K | N/A | Daubert, 1996 | |
Tc | 566.3 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 566.34 | K | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 27.3 ± 0.4 | bar | N/A | Daubert, 1996 | |
Pc | 27.298 | bar | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.4053 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.460 | l/mol | N/A | Daubert, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.17 ± 0.04 | mol/l | N/A | Daubert, 1996 | |
ρc | 2.17 | mol/l | N/A | McMicking and Kay, 1965 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 37.82 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 37.7 ± 0.1 | kJ/mol | C | Hossenlopp and Scott, 1981 | AC |
ΔvapH° | 37.7 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 37.7 ± 0.1 | kJ/mol | C | Osborne and Ginnings, 1947, 2 | AC |
ΔvapH° | 37.70 | kJ/mol | C | Osborne and Ginnings, 1947 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
32.36 | 386.6 | N/A | Majer and Svoboda, 1985 | |
37.7 | 303. | A | Stephenson and Malanowski, 1987 | Based on data from 288. to 400. K.; AC |
39.1 | 274. | A | Stephenson and Malanowski, 1987 | Based on data from 223. to 289. K.; AC |
41.3 | 238. | IP,EB | Osborn and Douslin, 1974 | Based on data from 223. to 426. K.; AC |
39.8 | 263. | IP | Osborn and Douslin, 1974 | Based on data from 223. to 278. K.; AC |
36.7 | 325. | MM | Willingham, Taylor, et al., 1945 | Based on data from 310. to 388. 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 414. | 53.74 | 0.2772 | 566.3 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
222.83 to 426.32 | 4.15631 | 1420.71 | -44.618 | Osborn and Douslin, 1974 | Coefficents calculated by NIST from author's data. |
309.72 to 387.53 | 3.97886 | 1315.084 | -55.624 | Williamham, Taylor, et al., 1945 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.268 | 163.63 | Pitzer and Scott, 1941 | DH |
9.27 | 163.6 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
56.64 | 163.63 | Pitzer and Scott, 1941 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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: C8H18 = C8H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -5.2 ± 1.3 | kJ/mol | Ciso | Prosen and Rossini, 1945, 2 | liquid phase; Calculated from ΔHc |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
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, 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
View image of digitized spectrum (can be printed in landscape orientation).
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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114222 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed 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 |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 747.1 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 750.2 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Packed | C78, Branched paraffin | 130. | 765.1 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | OV-101 | 0. | 743. | Skrbic, 1997 | |
Capillary | OV-101 | 0. | 745. | Skrbic, 1997 | |
Capillary | OV-101 | 150. | 765.6 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 771.3 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 749. | Hilal, Carreira, et al., 1994 | |
Packed | C78, Branched paraffin | 130. | 764.2 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | BP-1 | 0. | 743. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Packed | Apolane | 130. | 765. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | OV-1 | 60. | 752. | Engewald, Maurer, et al., 1989 | |
Capillary | OV-101 | 40. | 748. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 750. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 754. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 751.6 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 755.05 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 40. | 748.4 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 50. | 749.8 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 60. | 751.2 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 70. | 752.7 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
Capillary | OV-101 | 30. | 747. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 748. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 749. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 750. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 752. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 754. | Chien, Furio, et al., 1983 | |
Capillary | OV-3 | 30. | 748.3 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 40. | 749.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 50. | 751.0 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 60. | 752.5 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 70. | 754.0 | Chien, Furio, et al., 1983, 2 | |
Capillary | OV-3 | 80. | 755.6 | Chien, Furio, et al., 1983, 2 | |
Capillary | DB-1 | 60. | 751.9 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 751.9 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-101 | 50. | 750. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 750. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | SF-96 | 50. | 750. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 30. | 748.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 749.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 751.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 752.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 754.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 756.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 747.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 748.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 749.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 750.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 751.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 752. | Chien, Kopecni, et al., 1981 | H2 |
Packed | Triacontane | 80. | 755. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | Squalane | 80. | 756. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
Packed | OV-1 | 80. | 754. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Packed | SE-30 | 80. | 754. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
Capillary | Squalane | 60. | 754. | Chretien and Dubois, 1976 | |
Packed | Apolane | 70. | 755.5 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Capillary | Squalane | 50. | 752. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 755. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 50. | 750. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 50. | 750. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 752. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 752. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 748. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 750. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 751. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 752. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 754. | Sidorov, Petrova, et al., 1972 | |
Capillary | Squalane | 70. | 752.5 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 80. | 754. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 25. | 748. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 80. | 758. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 40. | 751. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 749. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 752. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 755. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 757. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 750.5 | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 753. | Tourres, 1967 | H2; Column length: 10. m |
Capillary | Squalane | 30. | 750. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 752. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 756. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 40. | 751. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 754. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 756. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 743. | 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 | 753. | 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 | 746.7 | 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 | 752. | 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 | HP-5 | 759. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | SPB-1 | 743.63 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
Capillary | OV-101 | 747.6 | 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 | 744.80 | 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 | 748. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 745. | 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 | 743. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 757.70 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Capillary | OV-101 | 748. | Wu and Lu, 1984 | Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 748. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 752. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 749. | Wu and Lu, 1984, 2 | |
Capillary | OV-101 | 70. | 752. | Wu and Lu, 1984, 2 | |
Capillary | Squalane | 100. | 759. | Dimov N., 1976 | |
Capillary | Squalane | 70. | 755. | Dimov N., 1976 | |
Capillary | Squalane | 86. | 746. | 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 | 752. | 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 | 750. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | SE-54 | 749. | 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 | 751. | 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 | SF-96 | 750. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 757. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 752. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 754. | 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 | OV-101 | 754. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 748. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 746. | Spieksma, 1999 | Program: not specified |
Capillary | DB-1 | 746. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-101 | 743. | Skrbic and Cvejanov, 1993 | Program: not specified |
Capillary | Squalane | 744. | Petrov, 1984 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 743. | 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. | 744. | 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. | 750. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 761. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 760. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 761. | 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 | 760. | 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, Condensed 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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Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
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The thermodynamics of branched-chain paraffins. The heat capacity, heat of fusion and vaporization, and entropy of 2,3,4-trimethylpentane,
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Vapor-pressure relations for 15 hydrocarbons,
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Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
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Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
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Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
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Skrbic, B.D.,
Unified retention concept -- statistical treatment of Kováts retention index,
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Cha and Lee, 1994
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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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Reddy, Dutoit, et al., 1992
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Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups,
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Skrbic and Cvejanov, 1992
Skrbic, B.D.; Cvejanov, J.Dj.,
Unified retention indices of hydrocarbons on BP-1 dimethylsiloxane stationary phase,
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Dutoit, 1991
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Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases,
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Engewald, Maurer, et al., 1989
Engewald, W.; Maurer, T.; Schiefke, A.,
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Laub and Purnell, 1988
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. [all data]
Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L.,
Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
Zh. Anal. Khim., 1988, 43, 127-135. [all data]
Boneva and Dimov, 1986
Boneva, S.; Dimov, N.,
Unified retention index of hydrocarbons separated on dimethylsilicone OV-101,
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. [all data]
Chien, Furio, et al., 1983
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J.,
Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-101 and SP-2100 Polydimethylsiloxane Solvents,
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. [all data]
Chien, Furio, et al., 1983, 2
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J.,
Specific retention volumes and retention indices of selected hydrocarbon solutes with OV-3, OV-7, OV-11, OV-17, OV-22, and OV-25 polymethylphenylsiloxane solvents,
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. [all data]
Lubeck and Sutton, 1983
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Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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. [all data]
Johansen and Ettre, 1982
Johansen, N.G.; Ettre, L.S.,
Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases,
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. [all data]
Chien, Kopecni, et al., 1981
Chien, C.-F.; Kopecni, M.M.; Laub, R.J.,
Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-1 and SE-30 Polydimethylsiloxane Solvents,
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Castello and D'Amato, 1979
Castello, G.; D'Amato, G.,
Use of Linear and Branched-Chain Paraffinic Liquid Phases as Non-Polar Reference Materials in Gas Chromatography,
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. [all data]
Dimov and Papazova, 1979
Dimov, N.; Papazova, D.,
Calculation of retention indices of isoparaffins on different phases,
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Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E.,
New Perspectives in the Prediction of Kovats Indices,
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Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz.,
A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography,
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Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
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Pacáková, Hoch, et al., 1973
Pacáková, V.; Hoch, K.; Smolková, E.,
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Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P.,
Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography
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Dimov and Schopov, 1971
Dimov, N.; Schopov, D.,
Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan,
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. [all data]
Mitra and Saha, 1970
Mitra, G.D.; Saha, N.C.,
Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods,
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Matukuma, 1969
Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
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Tourres, D.A.,
Structural analysis of industrial butene dimers by gas chromatography,
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Tourres, 1967, 2
Tourres, D.A.,
Structure moléculaire et rétention en chromatographie en phase gazeuse. Influence de la température sur l'indice de rétention d'alcanes isomères,
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Evans, M.B.,
Retention indices of solutes on squalane, dinonyl phthalate, and polyethylene glycol 400,
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Hayes, P.C., Jr.; Pitzer, E.W.,
Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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Louis, R.,
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Haagen-Smit Laboratory,
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Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M.,
Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust,
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Hassoun, S.; Pilling, M.J.; Bartle, K.D.,
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Qualitative analysis of light components of gasoline cracking using Kovats retention indices,
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Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101,
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Dimov N.,
Quantitative gas chromatographic analysis and determination of solute properties. An exact equation for the calculation of the retention indices of isoalkanes on Squalane,
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Vigdergauz, M.S.; Martynov, A.A.,
Some applications of the gas chromatographic linear retention indices,
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Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
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Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
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QSPR study on gas chromatography retention index of some organic pollutants,
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume 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 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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