Carbon Tetrachloride
- Formula: CCl4
- Molecular weight: 153.823
- IUPAC Standard InChI: InChI=1S/CCl4/c2-1(3,4)5
- IUPAC Standard InChIKey: VZGDMQKNWNREIO-UHFFFAOYSA-N
- CAS Registry Number: 56-23-5
- 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: Methane, tetrachloro-; Benzinoform; Carbon chloride (CCl4); Carbona; Fasciolin; Flukoids; Freon 10; Necatorina; Perchloromethane; Tetrachlorocarbon; Tetrachloromethane; Tetrafinol; Tetraform; Tetrasol; Univerm; Vermoestricid; CCl4; Benzenoform; Carbon tet; Methane tetrachloride; Czterochlorek wegla; ENT 4,705; Halon 1040; Necatorine; R 10; Tetrachloorkoolstof; Tetrachloormetaan; Tetrachlorkohlenstoff, tetra; Tetrachlormethan; Tetrachlorure de carbone; Tetraclorometano; Tetracloruro di carbonio; Chlorid uhlicity; ENT 27164; Rcra waste number U211; UN 1846; Katharin; Seretin; Thawpit; NSC 97063; R 10 (Refrigerant)
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- GAS (ABOUT 100 mmHg DILUTED WITH NITROGEN); DOW KBr FOREPRISM; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (1% CS2); BECKMAN IR-9 (GRATING); DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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, IR 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
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, 1998. |
| NIST MS number | 291258 |
Vibrational and/or electronic energy levels
Go To: Top, 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: Takehiko Shimanouchi
Symmetry: Td Symmetry Number σ = 12
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | Sym str | 459 | C | ia | 458.7 p | liq. | |||
| e | 2 | Deg deform | 217 | C | ia | 217.0 dp | liq. | |||
| f2 | 3 | Deg str | 776 | E | 789 VS | gas | 790.4 dp | liq. | FR(ν1+ν4) | |
| f2 | 3 | Deg str | 776 | E | 768 VS | gas | 761.7 dp | liq. | FR(ν1+ν4) | |
| f2 | 4 | Deg deform | 314 | C | 309.9 W | liq. | 313.5 dp | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| W | Weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| C | 3~6 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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 |
|---|---|---|---|---|---|
| Packed | C78, Branched paraffin | 130. | 680.5 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
| Capillary | DB-1 | 60. | 660. | Dewulf, Van Langenhove, et al., 1997 | 30. m/0.53 mm/5.0 μm, He |
| Packed | C78, Branched paraffin | 130. | 680.7 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
| Packed | Apolane | 130. | 680. | Dutoit, 1991 | Column length: 3.7 m |
| Packed | OV-1 | 100. | 667. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 125. | 673. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | OV-1 | 75. | 662. | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | Squalane | 80. | 648. | Pacáková, Vojtechová, et al., 1988 | N2, Chezasorb AW-HMDS; Column length: 1.2 m |
| Packed | SE-30 | 150. | 680. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
| Packed | SE-30 | 100. | 672. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
| Packed | Porapack Q | 200. | 628. | Goebel, 1982 | N2 |
| Packed | Apolane | 70. | 663.1 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
| Packed | Squalane | 50. | 647. | Vernon, 1971 | N2 |
| Packed | Apiezon L | 100. | 679. | Brown, Chapman, et al., 1968 | N2, DCMS-treated Chromosorb W; Column length: 2.3 m |
| Packed | DC-200 | 100. | 669. | Rohrschneider, 1966 | Column length: 4. m |
| Packed | Squalane | 100. | 656. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | Apiezon L | 100. | 682. | Rohrschneider, 1966 | Column length: 5. m |
| Packed | Apiezon L | 130. | 691. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
| Packed | Apiezon L | 70. | 671. | von Kováts, 1958 | Celite (40:60 Gewichtsverhaltnis) |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-1 | 657. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | SP-1000 | 100. | 900.66 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 125. | 902.2 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | SP-1000 | 75. | 886.54 | Castello and Gerbino, 1988 | He, Chromosorb W DMCS; Column length: 3. m |
| Packed | Carbowax 20M | 75. | 888. | Goebel, 1982 | N2, Kieselgur (60-100 mesh); Column length: 2. m |
| Packed | Carbowax 20M | 100. | 895. | Rohrschneider, 1966 | Column length: 2. m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CBP-20 | 868. | Shimadzu, 2003 | 25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 645.7 | Helmig, Pollock, et al., 1996 | 30. m/0.25 mm/1. μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
| Capillary | DB-5 | 661. | Helmig, Pollock, et al., 1996 | 60. m/0.33 mm/0.25 μm, 6. K/min; Tstart: -50. C; Tend: 180. C |
| Capillary | SE-54 | 663. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
| Capillary | OV-1 | 652. | Schreyen, Dirinck, et al., 1976 | 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 879. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 60. | 661. | Shimadzu, 2003, 2 | 60. m/0.32 mm/1. μm, He |
| Packed | Synachrom | 150. | 611. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
| Packed | Synachrom | 150. | 618. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
| Packed | Squalane | 100. | 651. | Vernon, 1971 | N2 |
| Packed | DC-400 | 150. | 675. | Anderson, 1968 | Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Packed | SE-30 | 659. | MHA, 9999 | Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C |
| Capillary | HP-5 | 656. | Isidorov and Jdanova, 2002 | 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | BP-1 | 663. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | SE-54 | 661. | Huang, Liang, et al., 1996 | 36. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 35. C; Tend: 240. C |
| Capillary | DB-1 | 654. | 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 | OV-101 | 645. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 645. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 0. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 658. | Zenkevich, 2001 | Program: not specified |
| Capillary | SPB-1 | 661. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | DB-5 | 664. | Sorimachi, Tanabe, et al., 1995 | He; Column length: 30. m; Program: not specified |
| Capillary | Methyl Silicone | 658. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
| Capillary | DB-1 | 645. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
| Capillary | DB-1 | 645. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
| Capillary | SPB-1 | 661. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
| Capillary | SPB-1 | 659. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 664. | Weller and Wolf, 1989 | 40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 646. | 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. | 658. | 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. | 672. | 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. | 673. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | OV-1 | 659. | Ramsey and Flanagan, 1982 | Program: not specified |
| Capillary | SE-30 | 649. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-Wax | 60. | 908. | Shimadzu, 2003, 2 | 50. m/0.32 mm/1. μm, He |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 900. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
| Capillary | DB-Wax | 900. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax 10 | 864. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
| Capillary | Polyethylene Glycol | 886. | Zenkevich, Korolenko, et al., 1995 | Program: not specified |
| Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 888. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | Carbowax 20M | 886. | Ramsey and Flanagan, 1982 | Program: not specified |
| Capillary | Polyethylene Glycol | 872. | MacLeod and Pieris, 1981 | Program: not specified |
References
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E.,
Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups,
J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0
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Dewulf, Van Langenhove, et al., 1997
Dewulf, J.; Van Langenhove, H.; Everaert, M.,
Solid-phase microextraction of volatile organic compounds estimation of the sorption equilibrium from the Kováts index, effect of salinity and humic acids and the study of the kinetics by the development of an agitated/static layer model,
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Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz.,
Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups,
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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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Castello and Gerbino, 1988
Castello, G.; Gerbino, T.C.,
Effect of Temperature on the Gas Chromatographic Separation of Halogenated Compounds on Polar and Non-Polar Stationary Phases,
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Pacáková, Vojtechová, et al., 1988
Pacáková, V.; Vojtechová, H.; Coufal, P.,
Reaction gas chromatography: study of the photodecomposition of halogenated hydrocarbons,
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Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
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Goebel, 1982
Goebel, K.-J.,
Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe,
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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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Vernon, F.,
An investigation into hydrogen bonding in gas-liquid chromatography,
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Rohrschneider, 1966
Rohrschneider, L.,
Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten,
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von Kováts, 1958
von Kováts, E.,
206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone,
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Shimadzu, 2003
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii,
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Shimadzu, 2003, 2
Shimadzu,
Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]
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Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
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. [all data]
Notes
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References
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