Ethylene
- Formula: C2H4
- Molecular weight: 28.0532
- IUPAC Standard InChIKey: VGGSQFUCUMXWEO-UHFFFAOYSA-N
- CAS Registry Number: 74-85-1
- 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. - Isotopologues:
- Other names: Ethene; Acetene; Bicarburretted hydrogen; Elayl; Olefiant gas; C2H4; Athylen; Liquid ethyene; UN 1038; UN 1962
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 51 to 54
- Fluid Properties
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Henry's Law data
Go To: Top, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, 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 |
---|---|---|---|---|
0.0048 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.0049 | Q | N/A | Several references are given in the list of Henry's law constants but not assigned to specific species. | |
0.0047 | L | N/A | ||
0.0047 | 1800. | L | N/A | |
0.0047 | V | N/A | ||
0.0049 | X | N/A | The value is taken from the compilation of solubilities by W. Asman (unpublished). |
Gas phase ion energetics data
Go To: Top, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2H4+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 10.5138 ± 0.0006 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 680.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 651.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°(+) ion | 1067. ± 0.8 | kJ/mol | N/A | N/A | |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH(+) ion,0K | 1080. | kJ/mol | N/A | N/A |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C2H3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1704. ± 9. | kJ/mol | AVG | N/A | Average of 5 out of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1677.8 ± 2.1 | kJ/mol | IMRE | Ervin, Gronert, et al., 1990 | gas phase; B |
ΔrG° | 1670. ± 8.8 | kJ/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 1668. ± 21. | kJ/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >1661.0 | kJ/mol | IMRB | Froelicher, Freiser, et al., 1986 | gas phase; B |
Ion clustering data
Go To: Top, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Ag+ + C2H4 = (Ag+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 141. | kJ/mol | HPMS | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.5 | J/mol*K | N/A | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
71.5 | 750. | HPMS | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: (Ag+ • C2H4) + C2H4 = (Ag+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 136. | kJ/mol | HPMS | Guo and Castleman, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 126. | J/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; M |
By formula: Al+ + C2H4 = (Al+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 54.4 ± 8.4 | kJ/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
By formula: C2H4+ + C2H4 = (C2H4+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 66.1 | kJ/mol | PI | Ono, Linn, et al., 1984 | gas phase; M |
ΔrH° | 76.1 | kJ/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: (C2H4+ • C2H4) + C2H4 = (C2H4+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18. | kJ/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: C3H5+ + C2H4 = (C3H5+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 69.9 | kJ/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: C3H9Si+ + C2H4 = (C3H9Si+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 98.7 | kJ/mol | PHPMS | Li and Stone, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 161. | J/mol*K | PHPMS | Li and Stone, 1989 | gas phase; M |
By formula: C4H7+ + C2H4 = (C4H7+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36. | kJ/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
By formula: C6HCrO6+ + C2H4 = (C6HCrO6+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.8 ± 5.0 | kJ/mol | ICRCD | Hop and McMahon, 1991 | gas phase; Ar collision gas; M |
By formula: Co+ + C2H4 = (Co+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 186. ± 9.2 | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
179. (+7.1,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
27. (+13.,-0.) | CID | Haynes and Armentrout, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Co+ • C2H4) + C2H4 = (Co+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 152. ± 14. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Cr+ + C2H4 = (Cr+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 96. ± 11. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
125. (+19.,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Cr+ • C2H4) + C2H4 = (Cr+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 108. ± 11. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Cu+ + C2H4 = (Cu+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 176. ± 14. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
95. (+11.,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Cu+ • C2H4) + C2H4 = (Cu+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 174. ± 13. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: F- + C2H4 = (F- • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. ± 13. | kJ/mol | IMRB | Sullivan and Beauchamp, 1976 | gas phase; Structure: Roy and McMahon, 1985; B |
By formula: Fe+ + C2H4 = (Fe+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 145. ± 11. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
145. (+5.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (Fe+ • C2H4) + C2H4 = (Fe+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 151. ± 15. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: H4N+ + C2H4 = (H4N+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42. | kJ/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15. | 294. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: La+ + C2H4 = (La+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 220. ± 10. | kJ/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
90.0 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Mn+ + C2H4 = (Mn+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 91. ± 12. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Mn+ • C2H4) + C2H4 = (Mn+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88. ± 14. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Na+ + C2H4 = (Na+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.1 ± 4.6 | kJ/mol | CIDT | Armentrout and Rodgers, 2000 | RCD |
By formula: Ni+ + C2H4 = (Ni+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 182. ± 11. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
138. (+19.,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (Ni+ • C2H4) + C2H4 = (Ni+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 173. ± 14. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Rh+ + C2H4 = (Rh+ • C2H4)
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
161. (+3.,-0.) | CID | Chen and Armetrout, 1995 | gas phase; guided ion beam CID; M |
By formula: Sc+ + C2H4 = (Sc+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 220. ± 10. | kJ/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
131. | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH >=, guided ion beam CID; M |
By formula: Ti+ + C2H4 = (Ti+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 146. ± 11. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
119. | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: V+ + C2H4 = (V+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 125. ± 7.9 | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
117. | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: (V+ • C2H4) + C2H4 = (V+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 127. ± 14. | kJ/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: Y+ + C2H4 = (Y+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 220. ± 10. | kJ/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kJ/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
109. | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
IR Spectrum
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, 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. |
---|---|
NIST MS number | 18814 |
UV/Visible spectrum
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Download spectrum in JCAMP-DX format.
Source | Platt and Price, 1949 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 11951 |
Instrument | n.i.g. |
Melting point | - 169 |
Boiling point | - 103.7 |
Vibrational and/or electronic energy levels
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Takehiko Shimanouchi
Symmetry: D2h Symmetry Number σ = 4
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
ag | 1 | CH2 s-str | 3026 | B | ia | 3026.4 p | gas | |||
ag | 2 | CC str | 1623 | D | ia | 1622.6 p | gas | FR(2ν10) | ||
ag | 3 | CH2 scis | 1342 | B | ia | 1342.2 p | gas | |||
au | 4 | CH2 twist | 1023 | E | ia | ia | OC(ν4+ν6) | |||
b1g | 5 | CH2 a-str | 3103 | B | ia | 3102.5 dp | gas | |||
b1g | 6 | CH2 rock | 1236 | C | ia | 1236 dp | liq. | |||
b1u | 7 | CH2 wag | 949 | A | 949.3 M | gas | ia | |||
b2g | 8 | CH2 wag | 943 | C | ia | 943 dp | liq. | |||
b2u | 9 | CH2 a-str | 3106 | B | 3105.5 S | gas | ia | |||
b2u | 10 | CH2 rock | 826 | A | 826.0 W | gas | ia | |||
b3u | 11 | CH2 s-str | 2989 | A | 2988.66 S | gas | ia | |||
b3u | 12 | CH2 scis | 1444 | B | 1443.5 S | gas | ia | |||
Source: Shimanouchi, 1972
Notes
S | Strong |
M | Medium |
W | Weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
A | 0~1 cm-1 uncertainty |
B | 1~3 cm-1 uncertainty |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, 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-1 | 20. | 166. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | Squalane | 40. | 175. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 177. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 177. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 178. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 178. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 178.1 | 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 | 164. | 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 | Chromosorb 101 | 183. | Voorhees, Hileman, et al., 1975 | 10. K/min; Tstart: 0. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 158. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 166. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 165. | Chupalov and Zenkevich, 1996 | N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 178. | Chen and Feng, 2007 | Program: not specified |
Capillary | Porapack Q | 180. | Zenkevich and Rodin, 2004 | Program: not specified |
Capillary | Methyl Silicone | 166. | Zenkevich, 2000 | Program: not specified |
Capillary | SPB-1 | 165. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 165. | Zenkevich, 1997 | Program: not specified |
Capillary | Polydimethyl siloxanes | 165. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | SPB-1 | 165. | 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 |
Packed | SE-30 | 188. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 180. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
References
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Ohno, K.; Okamura, K.; Yamakado, H.; Hoshino, S.; Takami, T.; Yamauchi, M.,
Penning ionization of HCHO, CH2CH2, and CH2CHCHO by collision with He*(2 3S) metastable atoms,
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Williams and Cool, 1991
Williams, B.A.; Cool, T.A.,
Two-photon spectroscopy of Rydberg states of jet-cooled C2H4 and C2D4,
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Plessis and Marmet, 1986
Plessis, P.; Marmet, P.,
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Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
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Wood and Taylor, 1979
Wood, K.V.; Taylor, J.W.,
A photoionization mass spectrometric study of autoionization in ethylene and trans-2-butene,
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Carlier and Botter, 1979
Carlier, J.; Botter, R.,
Photoelectron spectra of ethylene of the six deuterated derivatives,
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Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A.,
Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives,
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Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
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Van Veen, 1976
Van Veen, E.H.,
Low-energy electron-impact spectroscopy on ethylene,
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Stockbauer and Inghram, 1975
Stockbauer, R.; Inghram, M.G.,
Vibrational structure in the ground state of ethylene ethylene-d4 molecular ions investigated by threshold photoelectron spectroscopy,
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Stockbauer and Inghram, 1975, 2
Stockbauer, R.; Inghram, M.G.,
Threshold photoelectron-photoion coincidence mass spectrometric study of ethylene and ethylene-d4,
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Rabalais, Debies, et al., 1974
Rabalais, J.W.; Debies, T.P.; Berkosky, J.L.; Huang, J.-T.J.; Ellison, F.O.,
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Maeda, Suzuki, et al., 1974
Maeda, K.; Suzuki, I.H.; Koyama, Y.,
Ionization efficiency curves of ethylene by electron impact,
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Knowles and Nicholson, 1974
Knowles, D.J.; Nicholson, A.J.C.,
Ionization energies of formic and acetic acid monomers,
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Gordon, Krige, et al., 1974
Gordon, S.M.; Krige, G.J.; Reid, N.W.,
Isotope effects in the unimolecular decomposition of ethylene by low-energy electron impact,
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Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G.,
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Beez, Bieri, et al., 1973
Beez, M.; Bieri, G.; Bock, H.; Heilbronner, E.,
The ionization potentials of butadiene, hexatriene, andtheir methyl derivatives: evidence for through space interaction between double bond π-orbitals and non-bonded pseudo-π orbitals of methyl groups?,
Helv. Chim. Acta, 1973, 56, 1028. [all data]
Mason, Kuppermann, et al., 1972
Mason, D.C.; Kuppermann, A.; Mintz, D.M.,
Angular distribution of electrons from the photoionization of ethylene
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Brundle, Robin, et al., 1972
Brundle, C.R.; Robin, M.B.; Kuebler, N.A.; Basch, H.,
Perfluoro effect in photoelectron spectroscopy. I. Nonaromatic molecules,
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Frost and Sandhu, 1971
Frost, D.C.; Sandhu, J.S.,
Ionization potentials of ethylene and some methyl-substituted ethylenes as determined by photoelectron spectroscopy,
Indian J. Chem., 1971, 9, 1105. [all data]
Branton, Frost, et al., 1970
Branton, G.R.; Frost, D.C.; Makita, T.; McDowell, C.A.; Stenhouse, I.A.,
Photoelectron spectra of ethylene and ethylene-d4,
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Eland, 1969
Eland, J.H.D.,
Photoelectron spectra of conjugated hydrocarbons and heteromolecules,
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Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H.,
Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
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Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W.,
The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy,
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Brehm, 1966
Brehm, B.,
Massenspektrometrische Untersuchung der Photoionisation von Molekulen,
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Botter, R.; Dibeler, V.H.; Walker, J.A.; Rosenstock, H.M.,
Mass-spectrometric study of photoionization. IV.Ethylene and 1,2-dideuteroethylene,
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Nicholson, 1965
Nicholson, A.J.C.,
Photoionization-efficiency curves. II. False and genuine structure,
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Momigny, 1963
Momigny, J.,
Ionization potentials and the structures of the photo-ionization yield curves of ethylene and its halogeno derivatives,
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Watanabe, K.,
Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH3 and NO,
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Price and Tutte, 1940
Price, W.C.; Tutte, W.T.,
The absorption spectra of ethylene, deutero-ethylene and some alkyl-substituted ethylenes in the vacuum ultra-violet,
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Kusch, Hustrulid, et al., 1937
Kusch, P.; Hustrulid, A.; Tate, J.T.,
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Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L.,
30.4-nm He(II) photoelectron spectra of organic molecules,
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Krause, Taylor, et al., 1978
Krause, D.A.; Taylor, J.W.; Fenske, R.F.,
An analysis of the effects of alkyl substituents on the ionization potentials of n-alkenes,
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Kobayashi, 1978
Kobayashi, T.,
A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes,
Phys. Lett., 1978, 69, 105. [all data]
White, Carlson, et al., 1974
White, R.M.; Carlson, T.A.; Spears, D.P.,
Angular distribution of the photoelectron spectra for ethylene, propylene, butene and butadiene,
J. Electron Spectrosc. Relat. Phenom., 1974, 3, 59. [all data]
Chupka, Berkowitz, et al., 1969
Chupka, W.A.; Berkowitz, J.; Refaey, K.M.A.,
Photoionization of ethylene with mass analysis,
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Bombach, Dannacher, et al., 1984
Bombach, R.; Dannacher, J.; Stadelmann, J.-P.,
The rate/energy functions for the competitive fragmentation processes of ethylene and ethane cations,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 217. [all data]
Gordon, Harvey, et al., 1977
Gordon, S.M.; Harvey, G.A.; Jackson, J.R.; Tresling, J.D.; Van Niekerk, J.M.,
Computer-assisted retarding potential difference system for ionization efficiency measurements,
Int. J. Mass Spectrom. Ion Phys., 1977, 23, 259. [all data]
Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G.,
A third-derivative method for determining electron-impact onset potentials,
Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]
Shiromaru, Achiba, et al., 1987
Shiromaru, H.; Achiba, Y.; Kimura, K.; Lee, Y.T.,
Determination of the C-H bond dissociation energies of ethylene and acetylene by observation of the threshold energies of H+ formation by synchrotron radiation,
J. Phys. Chem., 1987, 91, 17. [all data]
Ervin, Gronert, et al., 1990
Ervin, K.M.; Gronert, S.; Barlow, S.E.; Gilles, M.K.; Harrison, A.G.; Bierbaum, V.M.; DePuy, C.H.; Lin, W.C.,
Bonds Strengths of Ethylene and Acetylene,
J. Am. Chem. Soc., 1990, 112, 15, 5750, https://doi.org/10.1021/ja00171a013
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DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R.,
The Gas Phase Acidities of the Alkanes,
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Peerboom, Rademaker, et al., 1992
Peerboom, R.A.L.; Rademaker, G.J.; Dekoning, L.J.; Nibbering, N.M.M.,
Stabilization of Cycloalkyl Carbanions in the Gas Phase,
Rapid Commun. Mass Spectrom., 1992, 6, 6, 394, https://doi.org/10.1002/rcm.1290060608
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Froelicher, Freiser, et al., 1986
Froelicher, S.W.; Freiser, B.S.; Squires, R.R.,
The C3H5- isomers. Experimental and theoretical studies of the tautomeric propenyl ions and the cyclopropyl anion in the gas phase,
J. Am. Chem. Soc., 1986, 108, 2853. [all data]
Guo and Castleman, 1991
Guo, B.C.; Castleman, A.W.,
The Bonding Strength of Ag+(C2H4) and Ag+(C2H4)2 Complexes,
Chem. Phys. Lett., 1991, 181, 1, 16, https://doi.org/10.1016/0009-2614(91)90214-T
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Stockigt, Schwarz, et al., 1996
Stockigt, D.; Schwarz, J.; Schwarz, H.,
Theoretical and Experimental Studies on the Bond Dissociation Energies of Al(methane)+, Al(acetylene)+, Al(ethene)+, and Al(ethane)+,
J. Phys. Chem., 1996, 100, 21, 8786, https://doi.org/10.1021/jp960060k
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Ono, Linn, et al., 1984
Ono, Y.; Linn, S.H.; Tzeng, W.-B.; Ng, C.Y.,
A Study of the Unimolecular Decomposition of the (C2H4)2+ Complex,
J. Chem. Phys., 1984, 80, 4, 1482, https://doi.org/10.1063/1.446897
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Ceyer, Tiedemann, et al., 1979
Ceyer, S.T.; Tiedemann, P.W.; Ng, C.Y.; Mahan, B.H.; Lee, Y.T.,
Photoionization of Ethylene Clusters,
J. Chem. Phys., 1979, 70, 5, 2138, https://doi.org/10.1063/1.437758
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Li and Stone, 1989
Li, X.; Stone, J.A.,
Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes,
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Hop and McMahon, 1991
Hop, C.E.C.A.; McMahon, T.B.,
High Pressure Mass Spectrometric Observation of Metal Carbonyl Alkyl Adduct Ions of Novel Structure,
Inorg. Chem., 1991, 30, 13, 2828, https://doi.org/10.1021/ic00013a025
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Sievers, Jarvis, et al., 1998
Sievers, M.R.; Jarvis, L.M.; Armentrout, P.B.,
Transition Metal Ethene Bonds: Thermochemistry of M+(C2H4)n (M=Ti-Cu, n=1 and 2) Complexes,
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Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L.,
Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]
Haynes and Armentrout, 1994
Haynes, C.L.; Armentrout, P.B.,
Thermochemistry and Structures of CoC3H6+: Metallacyclic and Metal-Alkene Isomers,
Organomettalics, 1994, 13, 9, 3480, https://doi.org/10.1021/om00021a022
. [all data]
Sullivan and Beauchamp, 1976
Sullivan, S.A.; Beauchamp, J.L.,
Competition between proton transfer and elimination in the reactions of strong bases with fluoroethanes in the gas phase. Influence of base strength on reactivity,
J. Am. Chem. Soc., 1976, 98, 1160. [all data]
Roy and McMahon, 1985
Roy, M.; McMahon, T.B.,
The Anomalous Gas Phase Acidity of Ethyl Fluoride. An ab initio Investigation of the Importance of Hydrogen Bonding between Fluoride and sp2 and sp C-H Bonds.,
Can. J. Chem., 1985, 63, 3, 708, https://doi.org/10.1139/v85-117
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Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M.,
Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives,
J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034
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Ranashinge and Freiser, 1992
Ranashinge, Y.A.; Freiser, B.S.,
Gas-Phase Photodissociation of MC2H2+ (M = Sc, Y, La). Determination of D0(M+ - C2H2),
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Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T.,
An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory,
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Chen and Armetrout, 1995
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Activation of C2H6, C3H8, and c-C3H6 by Gas-Phase Rh+ and the Thermochemistry of Rh-Ligand Complexes,
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Platt and Price, 1949
Platt, J.R.; Price, W.C.,
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Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A.,
On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
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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,
Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
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. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]
Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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. [all data]
Voorhees, Hileman, et al., 1975
Voorhees, K.J.; Hileman, F.D.; Einhorn, I.N.,
Generation of retention index standards by pyrolysis of hydrocarbons,
Anal. Chem., 1975, 47, 14, 2385-2389, https://doi.org/10.1021/ac60364a035
. [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
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Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Chupalov and Zenkevich, 1996
Chupalov, A.A.; Zenkevich, I.G.,
Chromatographic Characterization of Structural Transformations of Organic Compounds in Diels-Alder Reaction. Aliphatic Dienes and Dienophyls,
Zh. Org. Khim., 1996, 32, 6, 675-684. [all data]
Chen and Feng, 2007
Chen, Y.; Feng, C.,
QSPR study on gas chromatography retention index of some organic pollutants,
Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]
Zenkevich and Rodin, 2004
Zenkevich, I.G.; Rodin, A.A.,
Gas chromatographic identification of some volatile toxic fluorine containing compounds by precalculated retention indices,
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Zenkevich, 2000
Zenkevich, I.G.,
Mutual Correlation between Gas Chromatographic Retention Indices of Unsaturated and Saturated Hydrocarbons found by Molecular Dynamics,
Z. Anal. Chem., 2000, 55, 10, 1091-1097. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Influence of the Variations of Dynamics Molecular Parameterts on the Additivity of Chromatigraphic Retention Indices of Products of Organic Reactions Relative to Initial Reagents,
Dokl. Akad. Nauk (Rus.), 1997, 353, 5, 625-627. [all data]
Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R.,
Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions,
Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
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. [all data]
Notes
Go To: Top, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy T Temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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