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Trichloromethane

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-103.18kJ/molReviewChase, 1998Data last reviewed in December, 1968
Deltafgas-102.9 ± 2.5kJ/molReviewManion, 2002derived from recommended «DELTA»fHliquid° and «DELTA»vapH°; DRB
Quantity Value Units Method Reference Comment
gas,1 bar295.61J/mol*KReviewChase, 1998Data last reviewed in December, 1968

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. - 1200.1200. - 6000.
A 44.24706101.4762
B 114.67343.429756
C -88.81837-0.657348
D 25.899920.043707
E -0.522808-9.348019
F -122.4891-155.8000
G 315.7451387.1556
H -103.1770-103.1770
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1968 Data last reviewed in December, 1968

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, 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 as indicated in comments:
DRB - Donald R. Burgess, Jr.
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
Deltafliquid-134.1 ± 2.5kJ/molReviewManion, 2002adopted combustion calorimetry data of Hu and Sinke, 1969 with increased uncertainty to reflect other data; DRB
Deltafliquid-134.3kJ/molCcrHu and Sinke, 1969, 2ALS
Quantity Value Units Method Reference Comment
Deltacliquid-473.21kJ/molCcrHu and Sinke, 1969, 2ALS
Deltacliquid-474.0 ± 8.4kJ/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -473. ± 8. kJ/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
114.25298.15Grolier, Roux-Desgranges, et al., 1993DH
113.2298.15Shehatta, 1993DH
114.32298.15Barta, Kooner, et al., 1989DH
114.35298.15Barta, Kooner, et al., 1989, 2DH
115.5298.15Petrov, Peshekhodov, et al., 1989T = 258.15, 278.15, 298.15, 318.15 K.; DH
113.85298.15Grolier, Roux-Desgranges, et al., 1987DH
115.5298.15Al'per, Peshekhodov, et al., 1986DH
113.73298.15Hepler, Kooner, et al., 1985DH
114.26298.15Inglese, Castagnolo, et al., 1981DH
116.2293.Rastorguev and Ganiev, 1967T = 293 to 333 K.; DH
113.4300.Harrison and Moelwyn-Hughes, 1957T = 243 to 303 K.; DH
114.0303.2Harrison and Moelwyn-Hughes, 1957T = 245 to 303 K. Unsmoothed experimental datum.; DH
114.18298.Staveley, Tupman, et al., 1955T = 284 to 329 K.; DH
117.1298.Kurbatov, 1948T = -52 to 51°C. Mean Cp, four temperatures.; DH
139.7303.6Phillip, 1939DH
113.0298.1Richards and Wallace, 1932T = 293 to 323 K.; DH
115.5293.2Williams and Daniels, 1925T = 20 to 50°C.; DH
116.7303.Willams and Daniels, 1924T = 295 to 315 K. Equation only.; DH

Phase change data

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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil334.3 ± 0.2KAVGN/AAverage of 36 out of 37 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus210. ± 2.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple209.61KN/AStull, 1937Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc537. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Pc53.2868barN/ACampbell and Chatterjee, 1969Uncertainty assigned by TRC = 0.1013 bar; TRC
Pc53.2868barN/ACampbell and Chatterjee, 1968Uncertainty assigned by TRC = 0.0607 bar; TRC
Quantity Value Units Method Reference Comment
rhoc4.11mol/lN/ACampbell and Chatterjee, 1969Uncertainty assigned by TRC = 0.03 mol/l; TRC
rhoc3.84mol/lN/ACampbell and Chatterjee, 1968Uncertainty assigned by TRC = 0.02 mol/l; TRC
rhoc4.15mol/lN/AHerz and Neukirch, 1923Uncertainty assigned by TRC = 0.02 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap31.4kJ/molN/AMajer and Svoboda, 1985 
Deltavap31.32 ± 0.08kJ/molReviewManion, 2002weighted average of several measurements plus a correction for non-ideality; DRB
Deltavap31.1kJ/molCMajer, Sváb, et al., 1980AC
Deltavap30.5 ± 0.42kJ/molVMathews, 1926Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 29.4 ± 0.2 kJ/mol; ALS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.24334.3N/AMajer and Svoboda, 1985 
30.8321.N/AChen, Wang, et al., 1995Based on data from 306. - 427. K.; AC
31.8254.AStephenson and Malanowski, 1987Based on data from 227. - 269. K.; AC
30.4348.AStephenson and Malanowski, 1987Based on data from 333. - 416. K.; AC
28.9425.AStephenson and Malanowski, 1987Based on data from 410. - 481. K.; AC
30.1494.AStephenson and Malanowski, 1987Based on data from 479. - 523. K.; AC
32.5275.EBBoublík and Aim, 1972Based on data from 260. - 333. K.; AC
35.0230.N/AStull, 1947Based on data from 215. - 334. K.; AC
30.9320.N/AScatchard and Raymond, 1938Based on data from 308. - 333. K.; AC

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
215. - 334.44.207721233.129-40.953Stull, 1947Coefficents calculated by NIST from author's data.
334.4 - 527.4.569921486.455-8.612Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.8209.6Acree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
MS - José A. Martinho Simões
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.

Individual Reactions

Chlorine anion + Trichloromethane = (Chlorine anion bullet Trichloromethane)

By formula: Cl- + CHCl3 = (Cl- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar63.6 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B,M
Deltar81.6 ± 8.4kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Deltar75.73kJ/molMoblGiles and Grimsrud, 1993gas phase; B
Deltar75.7 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar79.9 ± 2.9kJ/molTDEqDougherty, Dalton, et al., 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KN/ALarson and McMahon, 1984gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Deltar103.J/mol*KHPMSDougherty, Dalton, et al., 1974gas phase; M
Deltar61.9J/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar47. ± 5.kJ/molAVGN/AAverage of 6 values; Individual data points

CCl3- + Hydrogen cation = Trichloromethane

By formula: CCl3- + H+ = CHCl3

Quantity Value Units Method Reference Comment
Deltar1507.6kJ/molAcidPaulino and Squires, 1991gas phase; B
Deltar1496. ± 8.8kJ/molG+TSPaulino and Squires, 1991gas phase; B
Deltar1494. ± 26.kJ/molG+TSBohme, Lee-Ruff, et al., 1972gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1464. ± 8.4kJ/molIMRBPaulino and Squires, 1991gas phase; B
Deltar1464. ± 13.kJ/molIMRBBorn, Ingemann, et al., 2000gas phase; B
Deltar1461. ± 25.kJ/molIMRBBohme, Lee-Ruff, et al., 1972gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B

CN- + Trichloromethane = (CN- bullet Trichloromethane)

By formula: CN- + CHCl3 = (CN- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar76. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar45.2 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

C8H6MoO3 (solution) + Carbon Tetrachloride (solution) = Molybdenum, tricarbonylchloro(η5-2,4-cyclopentadien-1-yl)- (solution) + Trichloromethane (solution)

By formula: C8H6MoO3 (solution) + CCl4 (solution) = C8H5ClMoO3 (solution) + CHCl3 (solution)

Quantity Value Units Method Reference Comment
Deltar-133.1 ± 3.8kJ/molRSCNolan, López de la Vega, et al., 1986solvent: Tetrahydrofuran; The enthalpy of solution of Mo(Cp)(CO)3(H)(cr) was measured as 8.8 ± 0.4 kJ/mol Nolan, López de la Vega, et al., 1986, 2. Reaction temperature: 323 K; MS

Bromine anion + Trichloromethane = (Bromine anion bullet Trichloromethane)

By formula: Br- + CHCl3 = (Br- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar66.11kJ/molMoblGiles and Grimsrud, 1993gas phase; B
Quantity Value Units Method Reference Comment
Deltar39.7kJ/molMoblGiles and Grimsrud, 1993gas phase; B

CHCl4- + 2Trichloromethane = C2H2Cl7-

By formula: CHCl4- + 2CHCl3 = C2H2Cl7-

Quantity Value Units Method Reference Comment
Deltar61.50kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar30.3kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C2H2Cl7- + 3Trichloromethane = C3H3Cl10-

By formula: C2H2Cl7- + 3CHCl3 = C3H3Cl10-

Quantity Value Units Method Reference Comment
Deltar49.37kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar21.9kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C4H9+ + Trichloromethane = (C4H9+ bullet Trichloromethane)

By formula: C4H9+ + CHCl3 = (C4H9+ bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar98.7J/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

Sodium hydroxide + Chloral = sodium formate + Trichloromethane

By formula: HNaO + C2HCl3O = CHNaO2 + CHCl3

Quantity Value Units Method Reference Comment
Deltar-102.8kJ/molCmPritchard and Skinner, 1950liquid phase; Heat of hydrolysis; ALS

Trichloromethane + Chlorine = Carbon Tetrachloride + Hydrogen chloride

By formula: CHCl3 + Cl2 = CCl4 + HCl

Quantity Value Units Method Reference Comment
Deltar-93.30kJ/molCmKirkbride, 1956liquid phase; Heat of chlorination; ALS

Iodide + Trichloromethane = (Iodide bullet Trichloromethane)

By formula: I- + CHCl3 = (I- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

Trichloromethane + Bromine = Hydrogen bromide + Methane, bromotrichloro-

By formula: CHCl3 + Br2 = HBr + CBrCl3

Quantity Value Units Method Reference Comment
Deltar-5.9 ± 0.4kJ/molEqkMendenhall, Golden, et al., 1973gas phase; ALS

2Fluorodichloromethane = Trichloromethane + Difluorochloromethane

By formula: 2CHCl2F = CHCl3 + CHClF2

Quantity Value Units Method Reference Comment
Deltar-14.2 ± 2.0kJ/molEqkHess and Kemnitz, 1992gas phase; Gas Phase; ALS

C10H12Mo (cr) + 2Carbon Tetrachloride (l) = C10H10Cl2Mo (cr) + 2Trichloromethane (l)

By formula: C10H12Mo (cr) + 2CCl4 (l) = C10H10Cl2Mo (cr) + 2CHCl3 (l)

Quantity Value Units Method Reference Comment
Deltar-321.3 ± 4.4kJ/molRSCCalado, Dias, et al., 1979MS

C10H12W (cr) + 2Carbon Tetrachloride (l) = C10H10Cl2W (cr) + 2Trichloromethane (l)

By formula: C10H12W (cr) + 2CCl4 (l) = C10H10Cl2W (cr) + 2CHCl3 (l)

Quantity Value Units Method Reference Comment
Deltar-301.1 ± 3.4kJ/molRSCCalado, Dias, et al., 1979MS

Hydrogen bromide + Methane, bromotrichloro- = Trichloromethane + Bromine

By formula: HBr + CBrCl3 = CHCl3 + Br2

Quantity Value Units Method Reference Comment
Deltar5.9kJ/molKinSullivan and Davidson, 1951gas phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.254500.LN/A 
0.274100.MN/A 
0.233800.MN/A 
0.25 MN/A 
0.263900.MN/A 
0.264000.XN/A 
0.24 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.497300.MN/A 
0.242200.XN/A 
0.235000.XN/A 
0.254100.XBarr and Newsham, 1987 
0.284600.MGossett, 1987 
0.264300.XN/A 
0.234200.XN/A 
0.254300.XN/A 
0.244200.MN/A 
0.33 MNicholson, Maguire, et al., 1984 
0.28 cNicholson, Maguire, et al., 1984 
0.32 CNicholson, Maguire, et al., 1984 
0.21 CNicholson, Maguire, et al., 1984 
0.203900.MN/ASolubility in sea water.
0.304400.XN/A 
0.254100.XLeighton and Calo, 1981 
0.27 LN/A 
0.155600.XN/A 
0.254600.XN/A 
0.25 VN/A 
0.90 VN/AValue at T = 275. K.
0.31 CN/A 
0.23 VN/A 
0.35 MPearson and McConnell, 1975The same data was also published in missing citation. Value at T = 293. K.
0.294800.MN/A 

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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
LL - Sharon G. Lias and Joel F. Liebman

Quantity Value Units Method Reference Comment
IE (evaluated)11.37 ± 0.02eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.62 ± 0.16IMRBStaneke, Groothuis, et al., 1995EA > EA(CH2S-.), and Cl-A(CHCl2.) < Cl-A(CHCl3). May be ion-molecule complex.; B
1.756 ± 0.052SIGaines, Kay, et al., 1966The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
11.41 ± 0.02PIWang and Leroi, 1983LBLHLM
11.3PEVon Niessen, Asbrink, et al., 1982LBLHLM
11.48PEKimura, Katsumata, et al., 1981LLK
11.37 ± 0.02PIWerner, Tsai, et al., 1974LLK
11.40PEDewar and Worley, 1969RDSH
11.50CICermak, 1968RDSH
11.42 ± 0.03PIWatanabe, 1957RDSH
11.5PEVon Niessen, Asbrink, et al., 1982Vertical value; LBLHLM
11.48PEDixon, Murrell, et al., 1971Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C+24.62?EIReed and Snedden, 1956RDSH
CCl+16.3 ± 0.2?EIHobrock and Kiser, 1964RDSH
CCl2+12.2?EIShapiro and Lossing, 1968RDSH
CCl3+11.70 ± 0.09HEIMartin, Lampe, et al., 1966RDSH
CH+16.8 ± 1.0Cl2+ClEIOgawa, Miyoshi, et al., 1982LBLHLM
CH+23.9 ± 0.3?EIHobrock and Kiser, 1964RDSH
CHCl+17.5 ± 0.2?EIHobrock and Kiser, 1964RDSH
CHCl2+11.52ClEIHolmes, Lossing, et al., 1988LL
CHCl2+11.49 ± 0.02ClPIWerner, Tsai, et al., 1974LLK
CHCl2+11.52ClEILossing, 1972LLK
CHCl2+11.64 ± 0.20ClEIHobrock and Kiser, 1964RDSH
CHCl2+11.7 ± 0.1ClEIHarrison and Shannon, 1962RDSH
CHCl2+12.43 ± 0.02ClEIReed and Snedden, 1956RDSH
Cl+22.0 ± 0.3?EIHobrock and Kiser, 1964RDSH
H+20.5 ± 1.74H+CCl3EIOgawa, Miyoshi, et al., 1982LBLHLM

De-protonation reactions

CCl3- + Hydrogen cation = Trichloromethane

By formula: CCl3- + H+ = CHCl3

Quantity Value Units Method Reference Comment
Deltar1507.6kJ/molAcidPaulino and Squires, 1991gas phase; B
Deltar1496. ± 8.8kJ/molG+TSPaulino and Squires, 1991gas phase; B
Deltar1494. ± 26.kJ/molG+TSBohme, Lee-Ruff, et al., 1972gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Deltar1464. ± 8.4kJ/molIMRBPaulino and Squires, 1991gas phase; B
Deltar1464. ± 13.kJ/molIMRBBorn, Ingemann, et al., 2000gas phase; B
Deltar1461. ± 25.kJ/molIMRBBohme, Lee-Ruff, et al., 1972gas phase; > acetone, <= C5H6; value altered from reference due to change in acidity scale; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, 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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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

Bromine anion + Trichloromethane = (Bromine anion bullet Trichloromethane)

By formula: Br- + CHCl3 = (Br- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar66.11kJ/molMoblGiles and Grimsrud, 1993gas phase; B
Quantity Value Units Method Reference Comment
Deltar39.7kJ/molMoblGiles and Grimsrud, 1993gas phase; B

CHCl4- + 2Trichloromethane = C2H2Cl7-

By formula: CHCl4- + 2CHCl3 = C2H2Cl7-

Quantity Value Units Method Reference Comment
Deltar61.50kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar30.3kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

CN- + Trichloromethane = (CN- bullet Trichloromethane)

By formula: CN- + CHCl3 = (CN- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar76. ± 15.kJ/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar104.J/mol*KN/ALarson and McMahon, 1987gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity Value Units Method Reference Comment
Deltar45.2 ± 9.6kJ/molIMRELarson and McMahon, 1987gas phase; B,M

C2H2Cl7- + 3Trichloromethane = C3H3Cl10-

By formula: C2H2Cl7- + 3CHCl3 = C3H3Cl10-

Quantity Value Units Method Reference Comment
Deltar49.37kJ/molN/AHiraoka, Mizuno, et al., 2001gas phase; B
Quantity Value Units Method Reference Comment
Deltar21.9kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B

C4H9+ + Trichloromethane = (C4H9+ bullet Trichloromethane)

By formula: C4H9+ + CHCl3 = (C4H9+ bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar38.kJ/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar98.7J/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

Chlorine anion + Trichloromethane = (Chlorine anion bullet Trichloromethane)

By formula: Cl- + CHCl3 = (Cl- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar63.6 ± 8.4kJ/molTDAsYamdagni and Kebarle, 1971gas phase; B,M
Deltar81.6 ± 8.4kJ/molTDAsHiraoka, Mizuno, et al., 2001gas phase; B
Deltar75.73kJ/molMoblGiles and Grimsrud, 1993gas phase; B
Deltar75.7 ± 8.4kJ/molIMRELarson and McMahon, 1984gas phase; B,M
Deltar79.9 ± 2.9kJ/molTDEqDougherty, Dalton, et al., 1974gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar97.1J/mol*KN/ALarson and McMahon, 1984gas phase; From thermochemical cycle(Cl-)CF3H, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Deltar103.J/mol*KHPMSDougherty, Dalton, et al., 1974gas phase; M
Deltar61.9J/mol*KPHPMSYamdagni and Kebarle, 1971gas phase; Entropy change is questionable; M
Quantity Value Units Method Reference Comment
Deltar47. ± 5.kJ/molAVGN/AAverage of 6 values; Individual data points

Iodide + Trichloromethane = (Iodide bullet Trichloromethane)

By formula: I- + CHCl3 = (I- bullet CHCl3)

Quantity Value Units Method Reference Comment
Deltar59.0 ± 4.2kJ/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References, Notes

Data compiled by: Coblentz Society, Inc.

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


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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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 291570

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering 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: Takehiko Shimanouchi

Symmetry:   C3nu     Symmetry Number sigma = 3


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH str 3034  B 3034.1 M gas 3030 W gas
a1 2 CCl3 s-str 680  B 680 S gas 672 S gas
a1 3 CCl3 s-deform 363  C 366 liq. 363 M gas
e 4 CH bend 1220  B 1219.7 VS gas 1217 W gas
e 5 CCl3 d-str 774  B 774.0 VS gas 760 W gas
e 6 CCl3 d-deform 261  B 260 liq. 261 W gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, 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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Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, References