Tetrafluoromethane

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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, 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
ΔfH°gas-221. ± 6.kcal/molAVGN/AAverage of 12 out of 13 values; Individual data points
Quantity Value Units Method Reference Comment
S°gas,1 bar62.478cal/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. to 1000.1000. to 6000.
A 3.81639225.38769
B 50.270510.257199
C -45.28339-0.053344
D 14.866700.003765
E -0.051940-1.993470
F -226.2160-236.0840
G 53.6990085.08040
H -223.0400-223.0400
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, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
ΔcH°liquid-363.262kcal/molCcbPrice and Sapiano, 1979ALS
ΔcH°liquid-531.14kcal/molCcbKrech, Price, et al., 1973ALS
Quantity Value Units Method Reference Comment
S°liquid34.410cal/mol*KN/ASmith and Pace, 1969DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
19.14145.Smith and Pace, 1969T = 12 to 145 K. See also 69SMI/PAC.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law 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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil145.1 ± 0.2KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus89.KN/AStreng, 1971Uncertainty assigned by TRC = 1.5 K; TRC
Tfus89.5KN/AThorp and Scott, 1956Uncertainty assigned by TRC = 0.5 K; TRC
Tfus86.85KN/ARuff and Keim, 1930Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Ttriple89.4 ± 0.8KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc227.5KN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.1 K; TRC
Tc227.5KN/AChari, 1960Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Pc36.96atmN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.099 atm; TRC
Quantity Value Units Method Reference Comment
Vc0.142l/molN/ATerry, Lynch, et al., 1969Uncertainty assigned by TRC = 800. l/mol; TRC
Quantity Value Units Method Reference Comment
ρc7.155mol/lN/AAltunin, Geller, et al., 1987Uncertainty assigned by TRC = 0.01 mol/l; TRC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
2.8236145.12N/ASmith and Pace, 1969P = 101.325 kPa.; DH
2.89212.AStephenson and Malanowski, 1987Based on data from 195. to 227. K.; AC
2.94148.AStephenson and Malanowski, 1987Based on data from 89. to 163. K.; AC
2.84182.AStephenson and Malanowski, 1987Based on data from 160. to 197. K.; AC
2.96131.N/ASmith and Pace, 1969Based on data from 116. to 146. K.; AC
3.06131.N/AMenzel and Mohry, 1933Based on data from 93. to 146. K. See also Stephenson and Malanowski, 1987.; AC

Entropy of vaporization

ΔvapS (cal/mol*K) Temperature (K) Reference Comment
19.46145.12Smith and Pace, 1969P; 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
121.59 to 135.393.31456376.716-31.901Regnier, 1972Coefficents calculated by NIST from author's data.
89.71 to 101.460.62910103.578-61.461Smith and Pace, 1969Coefficents calculated by NIST from author's data.
92.51 to 145.874.1625556.616-11.43Menzel and Mohry, 1933Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
3.5188.N/ASimon, Knobler, et al., 1967Based on data from 86. to 89. K.; AC
4.0676.N/ABondi, 1963AC
3.3583.AMenzel and Mohry, 1933Based on data from 80. to 86. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
0.1789.56Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
5.36176.27Domalski and Hearing, 1996CAL
1.9089.56
5.1176.1
1.888.4
4.5976.1
1.989.5

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.3495076.09crystaline, IIcrystaline, IEnokida, Shinoda, et al., 1969DH
0.168689.529crystaline, IliquidEnokida, Shinoda, et al., 1969DH
0.4085176.27crystaline, IIcrystaline, ISmith and Pace, 1969DH
0.170289.56crystaline, IliquidSmith and Pace, 1969DH
0.4145176.09crystaline, IIcrystaline, IKostryukov, Samorukov, et al., 1958DH
0.1658088.44crystaline, IliquidKostryukov, Samorukov, et al., 1958DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
4.58976.09crystaline, IIcrystaline, IEnokida, Shinoda, et al., 1969DH
1.8889.529crystaline, IliquidEnokida, Shinoda, et al., 1969DH
5.35676.27crystaline, IIcrystaline, ISmith and Pace, 1969DH
1.9089.56crystaline, IliquidSmith and Pace, 1969DH
5.11076.09crystaline, IIcrystaline, IKostryukov, Samorukov, et al., 1958DH
1.8588.44crystaline, IliquidKostryukov, Samorukov, et al., 1958DH

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, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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

(Fluorine anion • 4Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 5Tetrafluoromethane)

By formula: (F- • 4CF4) + CF4 = (F- • 5CF4)

Quantity Value Units Method Reference Comment
ΔrH°2.4kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°19.cal/mol*KN/AHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M

(CF3- • 3Tetrafluoromethane) + Tetrafluoromethane = (CF3- • 4Tetrafluoromethane)

By formula: (CF3- • 3CF4) + CF4 = (CF3- • 4CF4)

Quantity Value Units Method Reference Comment
ΔrH°3.4kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KN/AHiraoka, Nasu, et al., 1995gas phase; Entropy change calculated or estimated; M

Tetrafluoromethane + 2Water = Carbon dioxide + 4hydrogen fluoride

By formula: CF4 + 2H2O = CO2 + 4HF

Quantity Value Units Method Reference Comment
ΔrH°-41.5 ± 1.0kcal/molCmGood, Scott, et al., 1956gas phase; HF has 10 moles H2O, see Scott, Good, et al., 1955; ALS
ΔrH°-41.5 ± 1.0kcal/molCmScott, Good, et al., 1955gas phase; Heat of hydrolysis; ALS

(Trifluoromethyl cation • 2Tetrafluoromethane) + Tetrafluoromethane = (Trifluoromethyl cation • 3Tetrafluoromethane)

By formula: (CF3+ • 2CF4) + CF4 = (CF3+ • 3CF4)

Quantity Value Units Method Reference Comment
ΔrH°2.9kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°21.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

(Trifluoromethyl cation • 3Tetrafluoromethane) + Tetrafluoromethane = (Trifluoromethyl cation • 4Tetrafluoromethane)

By formula: (CF3+ • 3CF4) + CF4 = (CF3+ • 4CF4)

Quantity Value Units Method Reference Comment
ΔrH°2.8kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

(Trifluoromethyl cation • Tetrafluoromethane) + Tetrafluoromethane = (Trifluoromethyl cation • 2Tetrafluoromethane)

By formula: (CF3+ • CF4) + CF4 = (CF3+ • 2CF4)

Quantity Value Units Method Reference Comment
ΔrH°4.9kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

(CHF4+ • 2Tetrafluoromethane) + Tetrafluoromethane = (CHF4+ • 3Tetrafluoromethane)

By formula: (CHF4+ • 2CF4) + CF4 = (CHF4+ • 3CF4)

Quantity Value Units Method Reference Comment
ΔrH°2.3kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°16.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

(CHF4+ • Tetrafluoromethane) + Tetrafluoromethane = (CHF4+ • 2Tetrafluoromethane)

By formula: (CHF4+ • CF4) + CF4 = (CHF4+ • 2CF4)

Quantity Value Units Method Reference Comment
ΔrH°2.8kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°11.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

(Fluorine anion • 2Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 3Tetrafluoromethane)

By formula: (F- • 2CF4) + CF4 = (F- • 3CF4)

Quantity Value Units Method Reference Comment
ΔrH°4.1kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°17.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(Fluorine anion • 3Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 4Tetrafluoromethane)

By formula: (F- • 3CF4) + CF4 = (F- • 4CF4)

Quantity Value Units Method Reference Comment
ΔrH°3.9kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°19.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(CF3- • 2Tetrafluoromethane) + Tetrafluoromethane = (CF3- • 3Tetrafluoromethane)

By formula: (CF3- • 2CF4) + CF4 = (CF3- • 3CF4)

Quantity Value Units Method Reference Comment
ΔrH°3.4kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°26.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(Fluorine anion • Tetrafluoromethane) + Tetrafluoromethane = (Fluorine anion • 2Tetrafluoromethane)

By formula: (F- • CF4) + CF4 = (F- • 2CF4)

Quantity Value Units Method Reference Comment
ΔrH°5.9kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

(CF3- • Tetrafluoromethane) + Tetrafluoromethane = (CF3- • 2Tetrafluoromethane)

By formula: (CF3- • CF4) + CF4 = (CF3- • 2CF4)

Quantity Value Units Method Reference Comment
ΔrH°3.4kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°25.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

C4H9+ + Tetrafluoromethane = (C4H9+ • Tetrafluoromethane)

By formula: C4H9+ + CF4 = (C4H9+ • CF4)

Quantity Value Units Method Reference Comment
ΔrH°3.4kcal/molPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°10.4cal/mol*KPHPMSSharma, Meza de Hojer, et al., 1985gas phase; M

Trifluoromethyl cation + Tetrafluoromethane = (Trifluoromethyl cation • Tetrafluoromethane)

By formula: CF3+ + CF4 = (CF3+ • CF4)

Quantity Value Units Method Reference Comment
ΔrH°6.6kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°19.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

CHF4+ + Tetrafluoromethane = (CHF4+ • Tetrafluoromethane)

By formula: CHF4+ + CF4 = (CHF4+ • CF4)

Quantity Value Units Method Reference Comment
ΔrH°5.1kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°20.cal/mol*KPHPMSHiraoka, Nasu, et al., 1996gas phase; M

Fluorine anion + Tetrafluoromethane = (Fluorine anion • Tetrafluoromethane)

By formula: F- + CF4 = (F- • CF4)

Quantity Value Units Method Reference Comment
ΔrH°6.4kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

CF3- + Tetrafluoromethane = (CF3- • Tetrafluoromethane)

By formula: CF3- + CF4 = (CF3- • CF4)

Quantity Value Units Method Reference Comment
ΔrH°3.6kcal/molPHPMSHiraoka, Nasu, et al., 1995gas phase; M
Quantity Value Units Method Reference Comment
ΔrS°22.cal/mol*KPHPMSHiraoka, Nasu, et al., 1995gas phase; M

2Carbonic difluoride = Carbon dioxide + Tetrafluoromethane

By formula: 2CF2O = CO2 + CF4

Quantity Value Units Method Reference Comment
ΔrH°-10.9 ± 2.2kcal/molEqkAmphlett, Dacey, et al., 1971gas phase; Heat of Decomposition third law at 1200 K; ALS

21,1,1',1'-Tetrakis(difluoroamino)-N-1,1'-trifluorodimethylamine = 4Tetrafluoromethane + 5Nitrogen + 3fluorine

By formula: 2C2F11N5 = 4CF4 + 5N2 + 3F2

Quantity Value Units Method Reference Comment
ΔrH°-719.2 ± 3.2kcal/molCmSinke, Thompson, et al., 1967gas phase; Energy of explosion; ALS

CF5N = Tetrafluoromethane + 0.5Nitrogen + 0.5fluorine

By formula: CF5N = CF4 + 0.5N2 + 0.5F2

Quantity Value Units Method Reference Comment
ΔrH°-54.0 ± 0.4kcal/molCcbWalker, 1972gas phase; Decompostion reaction; ALS

Tetrafluoromethane + 0.5Nitrogen + 0.5fluorine = CF5N

By formula: CF4 + 0.5N2 + 0.5F2 = CF5N

Quantity Value Units Method Reference Comment
ΔrH°54.0 ± 0.4kcal/molCcbWalker, 1972gas phase; Decompostion reaction; ALS

2Heptafluoromethanetriamine = 2Tetrafluoromethane + 3Nitrogen + 3fluorine

By formula: 2CF7N3 = 2CF4 + 3N2 + 3F2

Quantity Value Units Method Reference Comment
ΔrH°-350.6kcal/molCmSinke, Thompson, et al., 1967gas phase; Energy of explosion; ALS

2Pentafluoroguanidine = 2Tetrafluoromethane + 3Nitrogen + fluorine

By formula: 2CF5N3 = 2CF4 + 3N2 + F2

Quantity Value Units Method Reference Comment
ΔrH°-492.0kcal/molCmSinke, Thompson, et al., 1967gas phase; Energy of explosion; ALS

Octafluoromethanetetramine = Tetrafluoromethane + 2Nitrogen + 2fluorine

By formula: CF8N4 = CF4 + 2N2 + 2F2

Quantity Value Units Method Reference Comment
ΔrH°-223.5kcal/molCmSinke, Thompson, et al., 1967gas phase; Energy of explosion; ALS

Hexafluoromethanediamine = Tetrafluoromethane + Nitrogen + fluorine

By formula: CF6N2 = CF4 + N2 + F2

Quantity Value Units Method Reference Comment
ΔrH°-114.3kcal/molCmSinke, Thompson, et al., 1967gas phase; Energy of explosion; ALS

C5O5W (g) + Tetrafluoromethane (g) = C6F4O5W (g)

By formula: C5O5W (g) + CF4 (g) = C6F4O5W (g)

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

3Acetonitrile, trifluoro- + 5Nitrogen trifluoride = 6Tetrafluoromethane + 4Nitrogen

By formula: 3C2F3N + 5F3N = 6CF4 + 4N2

Quantity Value Units Method Reference Comment
ΔrH°-824.40 ± 0.22kcal/molEqkWalker, Sinke, et al., 1970gas phase; ALS

4sodium + Tetrafluoromethane = carbon + 4sodium fluoride

By formula: 4Na + CF4 = C + 4FNa

Quantity Value Units Method Reference Comment
ΔrH°-325.5 ± 2.2kcal/molCcbVorob'ev and Skuratov, 1960gas phase; ALS

Tetrafluoromethane + 4hydrogen fluoride = Methane + 4fluorine

By formula: CF4 + 4HF = CH4 + 4F2

Quantity Value Units Method Reference Comment
ΔrH°-459.3 ± 3.0kcal/molCmJessup, McCoskey, et al., 1955gas phase; ALS

3Ethane, hexafluoro- + 2Nitrogen trifluoride = 6Tetrafluoromethane + Nitrogen

By formula: 3C2F6 + 2F3N = 6CF4 + N2

Quantity Value Units Method Reference Comment
ΔrH°-311.7 ± 3.0kcal/molCcbSinke, 1966gas phase; ALS

(CHF4+ • 3Tetrafluoromethane) + Tetrafluoromethane = (CHF4+ • 4Tetrafluoromethane)

By formula: (CHF4+ • 3CF4) + CF4 = (CHF4+ • 4CF4)

Quantity Value Units Method Reference Comment
ΔrH°2.3kcal/molPHPMSHiraoka, Nasu, et al., 1996gas phase; M

Ethene, tetrafluoro- + 2fluorine = 2Tetrafluoromethane

By formula: C2F4 + 2F2 = 2CF4

Quantity Value Units Method Reference Comment
ΔrH°-247.92kcal/molCcbDomalski and Armstrong, 1967solid phase; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

k°H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00019 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.000211800.LN/A 
0.00020 VN/A 
0.000201500.MN/A 

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Vibrational and/or electronic energy levels, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Spectrum

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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 701

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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, 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:   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 909  B  ia 908.5 S gas
e 2 Deg deform 435  B  ia 435.0 S gas
f2 3 Deg str 1281  D ? gas ? gas FR(2ν4)
f2 4 Deg deform 632  B 631.73 VS gas 631.2 S gas

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
iaInactive
FRFermi resonance with an overtone or a combination tone indicated in the parentheses.
B1~3 cm-1 uncertainty
D6~15 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, 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
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Price and Sapiano, 1979
Price, S.J.W.; Sapiano, H.J., Determination of ΔH°f298(C6F10,g) and ΔH°f298(C6F12,g) from studies of the combustion of decafluorocyclohexene and dodecafluorocylohexene in oxygen and calculation of the resonance energy of hexafluorobenzene, Can. J. Chem., 1979, 58, 685-688. [all data]

Krech, Price, et al., 1973
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Notes

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