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Fluoroform

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-166.60kcal/molReviewChase, 1998Data last reviewed in June, 1969
Deltafgas-165.1kcal/molEqkGoy, Lord, et al., 1967ALS
Deltafgas-166.21 ± 0.65kcal/molCcrNeugebauer and Margrave, 1957Reanalyzed by Cox and Pilcher, 1970, Original value = -162.60 ± 0.65 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacgas-17.10 ± 0.17kcal/molEqkGoy, Lord, et al., 1967ALS
Deltacgas-123.4kcal/molCcrNeugebauer and Margrave, 1957ALS
Quantity Value Units Method Reference Comment
gas,1 bar62.058cal/mol*KReviewChase, 1998Data last reviewed in June, 1969

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 (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 1.54486024.02849
B 44.319600.940877
C -33.67280-0.180932
D 9.5241900.012059
E 0.015419-3.230600
F -168.7010-181.5140
G 52.2126980.40559
H -166.6000-166.6000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

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 by: Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
liquid36.099cal/mol*KN/AValentine, Brodale, et al., 1962 

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
20.66190.97Valentine, Brodale, et al., 1962T = 15 to 190.97 K.

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil188.7KN/APCR Inc., 1990BS
Tboil191.0KN/AStreng, 1971Uncertainty assigned by TRC = 0.05 K; TRC
Tboil189.KN/ACroll and Scott, 1964Uncertainty assigned by TRC = 0.3 K; TRC
Tboil189.KN/AThorp and Scott, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tfus110.2KN/AStreng, 1971Uncertainty assigned by TRC = 0.2 K; TRC
Tfus117.97KN/AValentine, Brodale, et al., 1962, 2Uncertainty assigned by TRC = 0.05 K; TRC
Tfus113.KN/AThorp and Scott, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple117.97KN/AValentine, Brodale, et al., 1962, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc299.1 ± 0.3KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Pc47.65atmN/AOhgaki, Umezono, et al., 1990Uncertainty assigned by TRC = 0.25 atm; TRC
Pc47.532atmN/AHori, Okazaki, et al., 1982Uncertainty assigned by TRC = 0.02 atm; TRC
Pc49.7000atmN/AWagner, 1968Uncertainty assigned by TRC = 0.09998 atm; TRC
Pc47.7288atmN/AHou and Martin, 1959Uncertainty assigned by TRC = 0.0680 atm; TRC
Quantity Value Units Method Reference Comment
rhoc7.5 ± 0.1mol/lAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
3.9940190.97N/AValentine, Brodale, et al., 1962P = 101.325 kPa.; DH
4.33175.AStephenson and Malanowski, 1987Based on data from 138. - 190. K.; AC
4.02213.AStephenson and Malanowski, 1987Based on data from 198. - 298. K.; AC
4.30177.N/AValentine, Brodale, et al., 1962Based on data from 146. - 192. K.; AC

Entropy of vaporization

DeltavapS (cal/mol*K) Temperature (K) Reference Comment
20.91190.97Valentine, Brodale, et al., 1962P; DH

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
145.36 - 191.194.24977718.089-22.013Valentine, Brodale, et al., 1962Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
6.12103.Stephenson and Malanowski, 1987Based on data from 89. - 118. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
0.9699117.97Valentine, Brodale, et al., 1962DH
0.970118.Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
8.222117.97Valentine, Brodale, et al., 1962DH

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

CF3- + Hydrogen cation = Fluoroform

By formula: CF3- + H+ = CHF3

Quantity Value Units Method Reference Comment
Deltar378.0 ± 1.4kcal/molD-EADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar377.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B
Deltar376.0 ± 4.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar370.3 ± 1.5kcal/molH-TSDeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar369.2 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B

CN- + Fluoroform = (CN- bullet Fluoroform)

By formula: CN- + CHF3 = (CN- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar17.0 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.4cal/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
Deltar9.6 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

Chlorine anion + Fluoroform = (Chlorine anion bullet Fluoroform)

By formula: Cl- + CHF3 = (Cl- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar16.7 ± 2.4kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar9.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Fluorine anion + Fluoroform = (Fluorine anion bullet Fluoroform)

By formula: F- + CHF3 = (F- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar27.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

C8H5- + Fluoroform = C9H6F3-

By formula: C8H5- + CHF3 = C9H6F3-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.8 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar10.4 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.8 at 350K; dS based on symmetry alone; B

C2H- + Fluoroform = C3H2F3-

By formula: C2H- + CHF3 = C3H2F3-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B

C9H7- + Fluoroform = C10H8F3-

By formula: C9H7- + CHF3 = C10H8F3-

Quantity Value Units Method Reference Comment
Deltar18.8 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar9.9 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone; B

C2H5O- + Fluoroform = C3H6F3O-

By formula: C2H5O- + CHF3 = C3H6F3O-

Quantity Value Units Method Reference Comment
Deltar22.0 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

CH3O- + Fluoroform = C2H4F3O-

By formula: CH3O- + CHF3 = C2H4F3O-

Quantity Value Units Method Reference Comment
Deltar23.5 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

C3H7O- + Fluoroform = C4H8F3O-

By formula: C3H7O- + CHF3 = C4H8F3O-

Quantity Value Units Method Reference Comment
Deltar21.1 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar14.2 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

C4H9+ + Fluoroform = (C4H9+ bullet Fluoroform)

By formula: C4H9+ + CHF3 = (C4H9+ bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar6.8kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C5O5W (g) + Fluoroform (g) = C6HF3O5W (g)

By formula: C5O5W (g) + CHF3 (g) = C6HF3O5W (g)

Quantity Value Units Method Reference Comment
Deltar<-5.00kcal/molEqGBrown, Ishikawa, et al., 1990Temperature range: ca. 300-350 K; MS

Iodide + Fluoroform = (Iodide bullet Fluoroform)

By formula: I- + CHF3 = (I- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar12.9 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

Fluoroform + Bromine = Hydrogen bromide + Bromotrifluoromethane

By formula: CHF3 + Br2 = HBr + CBrF3

Quantity Value Units Method Reference Comment
Deltar-3.3kcal/molEqkCorbett, Tarr, et al., 1963gas phase; At 298 K; ALS

Hydrogen bromide + Bromotrifluoromethane = Fluoroform + Bromine

By formula: HBr + CBrF3 = CHF3 + Br2

Quantity Value Units Method Reference Comment
Deltar4.59 ± 0.25kcal/molEqkCoomber and Whittle, 1967gas phase; ALS

2Difluorochloromethane = Fluorodichloromethane + Fluoroform

By formula: 2CHClF2 = CHCl2F + CHF3

Quantity Value Units Method Reference Comment
Deltar-3.39 ± 0.48kcal/molEqkHess and Kemnitz, 1992gas 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
0.013 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0133200.LN/A 
0.011 VN/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:
HL - Edward P. Hunter and Sharon G. Lias
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)13.86eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)148.1kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity140.9kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
13.9PENovak, Potts, et al., 1985LBLHLM
14.19 ± 0.02PIWang and Leroi, 1983LBLHLM
13.86PEPullen, Carlson, et al., 1970RDSH
>=13.8PEBrundle, Robin, et al., 1970RDSH
~13.84SStokes and Duncan, 1958RDSH
15.5PEBock, Wittmann, et al., 1982Vertical value; LBLHLM
14.8PEBieri, Asbrink, et al., 1981Vertical value; LLK
14.8 ± 0.05PEDemuth, 1977Vertical value; LLK
14.80EIHarshbarger, Robin, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CF+20.9HF+FEIGoto, Nakamura, et al., 1994LL
CF+20.2 ± 0.4?EIHobrock and Kiser, 1964RDSH
CF2+17.6HFEIGoto, Nakamura, et al., 1994LL
CF2+14.7 ± 0.4?EISteele, 1964RDSH
CF3+15.2HEIGoto, Nakamura, et al., 1994LL
CF3+14.14HPINoutary, 1968RDSH
CF3+14.03 ± 0.06HEIMartin, Lampe, et al., 1966RDSH
CH+33.5F2+FEIGoto, Nakamura, et al., 1994LL
CHF+19.8F2EIGoto, Nakamura, et al., 1994LL
CHF2+16.8FEIGoto, Nakamura, et al., 1994LL
CHF2+15.75FEILifshitz and Long, 1965RDSH
CHF2+16.4 ± 0.3FEIHobrock and Kiser, 1964RDSH
F+37.0?EIGoto, Nakamura, et al., 1994LL

De-protonation reactions

CF3- + Hydrogen cation = Fluoroform

By formula: CF3- + H+ = CHF3

Quantity Value Units Method Reference Comment
Deltar378.0 ± 1.4kcal/molD-EADeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar377.0 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; value altered from reference due to change in acidity scale; B
Deltar376.0 ± 4.5kcal/molCIDTGraul and Squires, 1990gas phase; B
Quantity Value Units Method Reference Comment
Deltar370.3 ± 1.5kcal/molH-TSDeyerl, Alconcel, et al., 2001gas phase; Adiabatic EA, from vibrational structure of spectrum; B
Deltar369.2 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; Paulino and Squires, 1991 suggests that this acidity may be too weak by ca. 5 kcal/mol. However, G2 calcn(JEB) give «DELTA»Hacid=379.9, «DELTA»Gacid=372.0; 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

CH3O- + Fluoroform = C2H4F3O-

By formula: CH3O- + CHF3 = C2H4F3O-

Quantity Value Units Method Reference Comment
Deltar23.5 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar16.6 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

CN- + Fluoroform = (CN- bullet Fluoroform)

By formula: CN- + CHF3 = (CN- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar17.0 ± 3.5kcal/molIMRELarson and McMahon, 1987gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar24.4cal/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
Deltar9.6 ± 2.3kcal/molIMRELarson and McMahon, 1987gas phase; B,M

C2H- + Fluoroform = C3H2F3-

By formula: C2H- + CHF3 = C3H2F3-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar10.7 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=9.2 at 350K; dS based on symmetry alone; B

C2H5O- + Fluoroform = C3H6F3O-

By formula: C2H5O- + CHF3 = C3H6F3O-

Quantity Value Units Method Reference Comment
Deltar22.0 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar15.1 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

C3H7O- + Fluoroform = C4H8F3O-

By formula: C3H7O- + CHF3 = C4H8F3O-

Quantity Value Units Method Reference Comment
Deltar21.1 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B
Quantity Value Units Method Reference Comment
Deltar14.2 ± 1.0kcal/molIMREChabinyc and Brauman, 1998gas phase; B

C4H9+ + Fluoroform = (C4H9+ bullet Fluoroform)

By formula: C4H9+ + CHF3 = (C4H9+ bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar6.8kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
Deltar19.8cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

C8H5- + Fluoroform = C9H6F3-

By formula: C8H5- + CHF3 = C9H6F3-

Quantity Value Units Method Reference Comment
Deltar19.3 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.8 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar10.4 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.8 at 350K; dS based on symmetry alone; B

C9H7- + Fluoroform = C10H8F3-

By formula: C9H7- + CHF3 = C10H8F3-

Quantity Value Units Method Reference Comment
Deltar18.8 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone; B
Quantity Value Units Method Reference Comment
Deltar9.9 ± 1.0kcal/molIMREChabinyc and Brauman, 2000gas phase; Original dG=8.3 at 350K; dS based on symmetry alone; B

Chlorine anion + Fluoroform = (Chlorine anion bullet Fluoroform)

By formula: Cl- + CHF3 = (Cl- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar16.7 ± 2.4kcal/molIMRELarson and McMahon, 1984gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar22.9cal/mol*KN/ALarson and McMahon, 1984, 2gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Quantity Value Units Method Reference Comment
Deltar9.8 ± 2.0kcal/molIMRELarson and McMahon, 1984gas phase; B,M

Fluorine anion + Fluoroform = (Fluorine anion bullet Fluoroform)

By formula: F- + CHF3 = (F- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar27.1 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M
Quantity Value Units Method Reference Comment
Deltar25.2cal/mol*KN/ALarson and McMahon, 1983gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity Value Units Method Reference Comment
Deltar19.6 ± 2.0kcal/molIMRELarson and McMahon, 1983gas phase; B,M

Iodide + Fluoroform = (Iodide bullet Fluoroform)

By formula: I- + CHF3 = (I- bullet CHF3)

Quantity Value Units Method Reference Comment
Deltar12.9 ± 1.0kcal/molTDAsCaldwell, Masucci, et al., 1989gas phase; B,M

IR Spectrum

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
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Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
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NIST MS number 268

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Vibrational and/or electronic energy levels

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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: 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 3036  C 3036 S gas 3062 S p liq.
a1 2 CF3 s-str 1117  C 1117 VS p liq.
a1 3 CF3 s-deform 700  C 700 M gas 697 S p liq.
e 4 CH bend 1372  C 1372 M gas 1376 S dp liq.
e 5 CF3 d-str 1152  C 1152 VS gas 1160 W dp liq.
e 6 CF3 d-deform 507  C 507 M gas 508 VS dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
pPolarized
dpDepolarized
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.

Chase, 1998
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Valentine, R.H.; Brodale, G.E.; Giauque, W.F., Trifluoromethane: entropy, low temperature heat capacity, heats of fusion and vaporization, and vapor pressure, J. Phys. Chem., 1962, 66, 392-395. [all data]

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Paulino, J.A.; Squires, R.R., Carbene Thermochemistry from Collision-Induced Dissociation Threshold Energy Measurements - The Heats of Formation of X1A1 CF2 and X1A1 CCl2, J. Am. Chem. Soc., 1991, 113, 15, 5573, https://doi.org/10.1021/ja00015a009 . [all data]

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Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

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French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]

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Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

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Chabinyc, M.L.; Brauman, J.I., Unusual ionic hydrogen bonds: Complexes of acetylides and fluoroform, J. Am. Chem. Soc., 2000, 122, 36, 8739-8745, https://doi.org/10.1021/ja000806z . [all data]

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Chabinyc, M.L.; Brauman, J.I., Acidity, basicity, and the stability of hydrogen bonds: Complexes of RO-+HCF3, J. Am. Chem. Soc., 1998, 120, 42, 10863-10870, https://doi.org/10.1021/ja9817592 . [all data]

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Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

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Coomber, J.W.; Whittle, E., Bond dissociation energies from equilibrium studies. Part 1.-D(CF3-Br), D(C2F5-Br) and D(n-C3F7-Br), Trans. Faraday Soc., 1967, 63, 608-619. [all data]

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Novak, I.; Potts, A.W.; Quinn, F.; Marr, G.V.; Dobson, B.; Hillier, I.H.; West, J.B., Photoelectron asymmetry measurements for CHF3 and CF4 in the photon energy range 19 to 80 eV, J. Phys. B:, 1985, 18, 1581. [all data]

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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