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
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Reaction thermochemistry data
Go To: Top, 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 as indicated in comments:
B - John E. Bartmess
MS - José A. Martinho Simões
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
ALS - 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.
Reactions 1 to 50
C2H3- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 407. ± 2. | kcal/mol | AVG | N/A | Average of 5 out of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 401.00 ± 0.50 | kcal/mol | IMRE | Ervin, Gronert, et al., 1990 | gas phase; B |
ΔrG° | 399.1 ± 2.1 | kcal/mol | H-TS | DePuy, Gronert, et al., 1989 | gas phase; B |
ΔrG° | 398.6 ± 4.9 | kcal/mol | H-TS | Peerboom, Rademaker, et al., 1992 | gas phase; B |
ΔrG° | >397.00 | kcal/mol | IMRB | Froelicher, Freiser, et al., 1986 | gas phase; B |
C7H4CrO5 (g) = C5CrO5 (g) + (g)
By formula: C7H4CrO5 (g) = C5CrO5 (g) + C2H4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.1 ± 1. | kcal/mol | KinG | McNamara, Becher, et al., 1994 | The reaction enthalpy was identified with the activation energy.; MS |
ΔrH° | 24.7 ± 2.4 | kcal/mol | KinG | Wells, House, et al., 1994 | The reaction enthalpy relies on the measured activation energy and on the assumption of a negligible barrier for product recombination Wells, House, et al., 1994.; MS |
By formula: Ag+ + C2H4 = (Ag+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 33.7 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | N/A | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
17.1 | 750. | HPMS | Guo and Castleman, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: H4N+ + C2H4 = (H4N+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 294. | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: Co+ + C2H4 = (Co+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.5 ± 2.2 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
42.8 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M | |
6.5 (+3.0,-0.) | CID | Haynes and Armentrout, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: C2H5Cl = C2H4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.0 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | liquid phase; ALS |
ΔrH° | 17.1 | kcal/mol | Eqk | Levanova, Bushneva, et al., 1979 | gas phase; ALS |
ΔrH° | 17.35 ± 0.50 | kcal/mol | Eqk | Howlett, 1955 | gas phase; ALS |
ΔrH° | 17.1 | kcal/mol | Eqk | Lane, Linnett, et al., 1953 | gas phase; ALS |
By formula: Cr+ + C2H4 = (Cr+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.9 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
29.9 (+4.5,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Ni+ + C2H4 = (Ni+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 43.5 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
32.9 (+4.5,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Cu+ + C2H4 = (Cu+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 42.1 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
22.7 (+2.6,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Sc+ + C2H4 = (Sc+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52. ± 3. | kcal/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
31.3 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH >=, guided ion beam CID; M |
By formula: La+ + C2H4 = (La+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52. ± 3. | kcal/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
21.5 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Y+ + C2H4 = (Y+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 52. ± 3. | kcal/mol | PDiss | Ranashinge and Freiser, 1992 | gas phase; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
26.1 | 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° | 34.9 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.4 | 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° | 29.9 ± 1.9 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
28.0 | CID | Armentrout and Kickel, 1994 | gas phase; ΔrH>=, guided ion beam CID; M |
By formula: Fe+ + C2H4 = (Fe+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.7 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
34.6 (+1.4,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: C2H4 + Br2 = C2H4Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28.90 ± 0.30 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -29.06 ± 0.30 kcal/mol; At 355 °K; ALS |
By formula: C2H4 + I2 = C2H4I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -11.5 ± 0.2 | kcal/mol | Eqk | Abrams and Davis, 1954 | gas phase; ALS |
ΔrH° | -13.4 ± 0.5 | kcal/mol | Eqk | Cutherbertson and Kistiakowsky, 1935 | gas phase; Heat of dissociation; ALS |
By formula: (Ag+ • C2H4) + C2H4 = (Ag+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.4 | kcal/mol | HPMS | Guo and Castleman, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.2 | cal/mol*K | HPMS | Guo and Castleman, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -32.6 ± 0.5 | kcal/mol | Chyd | Kistiakowsky and Nickle, 1951 | gas phase; ALS |
ΔrH° | -32.58 ± 0.06 | kcal/mol | Chyd | Kistiakowsky, Romeyn, et al., 1935 | gas phase; ALS |
By formula: C2H5Br = HBr + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.20 ± 0.50 | kcal/mol | Eqk | Lane, Linnett, et al., 1953 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 19.1 kcal/mol; ALS |
By formula: C3H9Si+ + C2H4 = (C3H9Si+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.6 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 38.5 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; M |
By formula: C2H4+ + C2H4 = (C2H4+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.8 | kcal/mol | PI | Ono, Linn, et al., 1984 | gas phase; M |
ΔrH° | 18.2 | kcal/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
C6H4FeO4 (l) = 4 (g) + (cr) + (g)
By formula: C6H4FeO4 (l) = 4CO (g) + Fe (cr) + C2H4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.0 ± 2.0 | kcal/mol | HAL-HFC | Brown, Connor, et al., 1976 | MS |
ΔrH° | 44.31 | kcal/mol | TD-HFC | Brown, Connor, et al., 1976 | MS |
By formula: C8H12 = C6H8 + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.4 | kcal/mol | Kin | Huybrechts, Rigaux, et al., 1980 | gas phase; Diels-Alder addition at 560°K, see Van Mele, Boon, et al., 1986; ALS |
By formula: F- + C2H4 = (F- • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 ± 3.0 | kcal/mol | IMRB | Sullivan and Beauchamp, 1976 | gas phase; Structure: Roy and McMahon, 1985; B |
By formula: Rh+ + C2H4 = (Rh+ • C2H4)
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
38.5 (+0.7,-0.) | CID | Chen and Armetrout, 1995 | gas phase; guided ion beam CID; M |
C7H9Cl2NPd (solution) + (l) = (PdCl2(C5H5N)2) (solution) + (solution)
By formula: C7H9Cl2NPd (solution) + C4H4N2 (l) = (PdCl2(C5H5N)2) (solution) + C2H4 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -13.8 ± 0.41 | kcal/mol | RSC | Partenheimer and Durham, 1974 | solvent: Dichloromethane; MS |
(solution) + (solution) = C13H19O2Rh (solution) + 2 (solution)
By formula: C9H15O2Rh (solution) + C8H12 (solution) = C13H19O2Rh (solution) + 2C2H4 (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.2 ± 0.1 | kcal/mol | RSC | Jesse, Cordfunke, et al., 1979 | solvent: n-Heptane; MS |
(g) + C2H3BrMg (solution) = (solution) + Br2Mg (solution)
By formula: HBr (g) + C2H3BrMg (solution) = C2H4 (solution) + Br2Mg (solution)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -70.29 ± 0.53 | kcal/mol | RSC | Holm, 1981 | solvent: Tetrahydrofuran; MS |
By formula: C6HCrO6+ + C2H4 = (C6HCrO6+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.2 | kcal/mol | ICRCD | Hop and McMahon, 1991 | gas phase; Ar collision gas; M |
By formula: Al+ + C2H4 = (Al+ • C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 ± 2.0 | kcal/mol | CIDC,EqG | Stockigt, Schwarz, et al., 1996 | Anchored to theory; RCD |
(CAS Reg. No. 25013-41-6 • 4294967295) + = CAS Reg. No. 25013-41-6
By formula: (CAS Reg. No. 25013-41-6 • 4294967295C2H4) + C2H4 = CAS Reg. No. 25013-41-6
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.9 ± 2.1 | kcal/mol | N/A | DePuy, Gronert, et al., 1989 | gas phase; B |
By formula: H2 + C2H3Cl = C2H4 + HCl
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -18.39 | kcal/mol | Chyd | Lacher, Kianpour, et al., 1956 | gas phase; At 298 K; ALS |
By formula: C2H4 + Cl2 = C2H4Cl2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -43.65 ± 0.15 | kcal/mol | Cm | Conn, Kistiakowsky, et al., 1938 | gas phase; At 355 °K; ALS |
By formula: C2H4ClI = I + Cl + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 76.5 ± 1.0 | kcal/mol | Kin | Minton, Felder, et al., 1984 | gas phase; ALS |
By formula: (C2H4+ • C2H4) + C2H4 = (C2H4+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 | kcal/mol | PI | Ceyer, Tiedemann, et al., 1979 | gas phase; M |
C12H14Mo (cr) + (cr) = C10H10I2Mo (cr) + (g)
By formula: C12H14Mo (cr) + I2 (cr) = C10H10I2Mo (cr) + C2H4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.96 ± 0.50 | kcal/mol | RSC | Calhorda, Carrondo, et al., 1991 | MS |
By formula: C9H15O2Rh (cr) + 2CO (g) = C7H7O4Rh (cr) + 2C2H4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -12.8 ± 0.41 | kcal/mol | DSC | Jesse, Baks, et al., 1978 | MS |
C9H15IrO2 (cr) + 2 (g) = C7H7IrO4 (cr) + 2 (g)
By formula: C9H15IrO2 (cr) + 2CO (g) = C7H7IrO4 (cr) + 2C2H4 (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -17.7 ± 1.1 | kcal/mol | DSC | Jesse, Baks, et al., 1978 | MS |
By formula: (Fe+ • C2H4) + C2H4 = (Fe+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.1 ± 3.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Cr+ • C2H4) + C2H4 = (Cr+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.8 ± 2.6 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Mn+ • C2H4) + C2H4 = (Mn+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21.0 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (V+ • C2H4) + C2H4 = (V+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.4 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Ni+ • C2H4) + C2H4 = (Ni+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.3 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Co+ • C2H4) + C2H4 = (Co+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.3 ± 3.3 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: (Cu+ • C2H4) + C2H4 = (Cu+ • 2C2H4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 41.6 ± 3.1 | kcal/mol | CIDT | Sievers, Jarvis, et al., 1998 | RCD |
By formula: C7H10 = C5H6 + C2H4
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.2 ± 0.60 | kcal/mol | Eqk | Walsh and Wells, 1976 | gas phase; ALS |
By formula: 2C2H4 = C4H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -20.7 ± 1.0 | kcal/mol | Eqk | Quick, Knecht, et al., 1972 | gas phase; At 750 K; ALS |
By formula: C2H4I2 = C2H4 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 0.2 | kcal/mol | Eqk | Benson and Amano, 1962 | gas phase; ALS |
By formula: C4H8 + C2H4 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -16.7 | kcal/mol | Eqk | Scacchi and Back, 1977 | liquid phase; ALS |
IR Spectrum
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), UV/Visible spectrum, 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)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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, 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.
Spectrum
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Additional Data
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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 |
Gas Chromatography
Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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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Determination of the beta silicon effect from a mass spectrometric study of the association of trimethylsilylium ion with alkenes,
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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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Jesse, Cordfunke, et al., 1979
Jesse, A.C.; Cordfunke, E.H.P.; Ouweltjes, W.,
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Hop, C.E.C.A.; McMahon, T.B.,
High Pressure Mass Spectrometric Observation of Metal Carbonyl Alkyl Adduct Ions of Novel Structure,
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Photodissociation of 1,2-chloroiodoethane at 248 and 266 nm: The enthalpy of formation of CH2ClCH2I,
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Walsh, R.; Wells, J.M.,
The enthalpy of formation and thermodynamic functions of bicyclo[2,2,1]hept-2-ene,
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Quick, Knecht, et al., 1972
Quick, L.M.; Knecht, D.A.; Back, M.H.,
Kinetics of the formation of cyclobutane from ethylene,
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Benson and Amano, 1962
Benson, S.W.; Amano, A.,
Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane,
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Scacchi, G.; Back, M.H.,
The cycloaddition of ethylene to butene-2. II. Energy relations,
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Platt, J.R.; Price, W.C.,
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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,
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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,
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. [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
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,
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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]
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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,
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Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
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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,
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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,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
T Temperature 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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