Tetrafluoromethane
- Formula: CF4
- Molecular weight: 88.0043
- IUPAC Standard InChIKey: TXEYQDLBPFQVAA-UHFFFAOYSA-N
- CAS Registry Number: 75-73-0
- 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: Carbon tetrafluoride; Methane, tetrafluoro-; Arcton 0; Carbon fluoride (CF4); Freon 14; FC 14; Perfluoromethane; CF4; Halon 14; Carbon fluoride; F 14; Halocarbon 14; R 14; UN 1982; Refrigerant 14; CFC 14; R 14 (Refrigerant); Refrigerant R 14; Methane, tetrafluo-
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Gas phase thermochemistry data
Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -930. ± 20. | kJ/mol | AVG | N/A | Average of 12 out of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 261.41 | J/mol*K | Review | Chase, 1998 | Data 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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1000. | 1000. to 6000. |
---|---|---|
A | 15.96778 | 106.2221 |
B | 210.3318 | 1.076122 |
C | -189.4657 | -0.223192 |
D | 62.20227 | 0.015753 |
E | -0.217317 | -8.340679 |
F | -946.4877 | -987.7755 |
G | 224.6766 | 355.9764 |
H | -933.1994 | -933.1994 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Condensed phase thermochemistry 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:
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 | -1519.89 | kJ/mol | Ccb | Price and Sapiano, 1979 | ALS |
ΔcH°liquid | -2222.3 | kJ/mol | Ccb | Krech, Price, et al., 1973 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 143.97 | J/mol*K | N/A | Smith and Pace, 1969 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
80.08 | 145. | Smith and Pace, 1969 | T = 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, 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 |
---|---|---|---|---|---|
Tboil | 145.1 ± 0.2 | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 89. | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 89.5 | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 86.85 | K | N/A | Ruff and Keim, 1930 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 89.4 ± 0.8 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 227.5 | K | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 227.5 | K | N/A | Chari, 1960 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.45 | bar | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.10 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.142 | l/mol | N/A | Terry, Lynch, et al., 1969 | Uncertainty assigned by TRC = 800. l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 7.155 | mol/l | N/A | Altunin, Geller, et al., 1987 | Uncertainty assigned by TRC = 0.01 mol/l; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
11.814 | 145.12 | N/A | Smith and Pace, 1969 | P = 101.325 kPa.; DH |
12.1 | 212. | A | Stephenson and Malanowski, 1987 | Based on data from 195. to 227. K.; AC |
12.3 | 148. | A | Stephenson and Malanowski, 1987 | Based on data from 89. to 163. K.; AC |
11.9 | 182. | A | Stephenson and Malanowski, 1987 | Based on data from 160. to 197. K.; AC |
12.4 | 131. | N/A | Smith and Pace, 1969 | Based on data from 116. to 146. K.; AC |
12.8 | 131. | N/A | Menzel and Mohry, 1933 | Based on data from 93. to 146. K. See also Stephenson and Malanowski, 1987.; AC |
Entropy of vaporization
ΔvapS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
81.41 | 145.12 | Smith and Pace, 1969 | P; DH |
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 |
---|---|---|---|---|---|
121.59 to 135.39 | 3.32027 | 376.716 | -31.901 | Regnier, 1972 | Coefficents calculated by NIST from author's data. |
89.71 to 101.46 | 0.63481 | 103.578 | -61.461 | Smith and Pace, 1969 | Coefficents calculated by NIST from author's data. |
92.51 to 145.87 | 4.1682 | 556.616 | -11.43 | Menzel and Mohry, 1933 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.7 | 88. | N/A | Simon, Knobler, et al., 1967 | Based on data from 86. to 89. K.; AC |
17.0 | 76. | N/A | Bondi, 1963 | AC |
14.0 | 83. | A | Menzel and Mohry, 1933 | Based on data from 80. to 86. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.71 | 89.56 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.43 | 76.27 | Domalski and Hearing, 1996 | CAL |
7.95 | 89.56 | ||
21.4 | 76.1 | ||
7.7 | 88.4 | ||
19.2 | 76.1 | ||
7.9 | 89.5 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.4623 | 76.09 | crystaline, II | crystaline, I | Enokida, Shinoda, et al., 1969 | DH |
0.7054 | 89.529 | crystaline, I | liquid | Enokida, Shinoda, et al., 1969 | DH |
1.7092 | 76.27 | crystaline, II | crystaline, I | Smith and Pace, 1969 | DH |
0.7121 | 89.56 | crystaline, I | liquid | Smith and Pace, 1969 | DH |
1.7343 | 76.09 | crystaline, II | crystaline, I | Kostryukov, Samorukov, et al., 1958 | DH |
0.69371 | 88.44 | crystaline, I | liquid | Kostryukov, Samorukov, et al., 1958 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
19.20 | 76.09 | crystaline, II | crystaline, I | Enokida, Shinoda, et al., 1969 | DH |
7.87 | 89.529 | crystaline, I | liquid | Enokida, Shinoda, et al., 1969 | DH |
22.41 | 76.27 | crystaline, II | crystaline, I | Smith and Pace, 1969 | DH |
7.95 | 89.56 | crystaline, I | liquid | Smith and Pace, 1969 | DH |
21.38 | 76.09 | crystaline, II | crystaline, I | Kostryukov, Samorukov, et al., 1958 | DH |
7.74 | 88.44 | crystaline, I | liquid | Kostryukov, Samorukov, et al., 1958 | DH |
Reaction thermochemistry 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:
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
By formula: (F- • 4CF4) + CF4 = (F- • 5CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79. | J/mol*K | N/A | Hiraoka, Nasu, et al., 1995 | gas phase; Entropy change calculated or estimated; M |
By formula: (CF3- • 3CF4) + CF4 = (CF3- • 4CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | N/A | Hiraoka, Nasu, et al., 1995 | gas phase; Entropy change calculated or estimated; M |
By formula: CF4 + 2H2O = CO2 + 4HF
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -174. ± 4.2 | kJ/mol | Cm | Good, Scott, et al., 1956 | gas phase; HF has 10 moles H2O, see Scott, Good, et al., 1955; ALS |
ΔrH° | -174. ± 4.2 | kJ/mol | Cm | Scott, Good, et al., 1955 | gas phase; Heat of hydrolysis; ALS |
By formula: (CF3+ • 2CF4) + CF4 = (CF3+ • 3CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 88. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: (CF3+ • 3CF4) + CF4 = (CF3+ • 4CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: (CF3+ • CF4) + CF4 = (CF3+ • 2CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: (CHF4+ • 2CF4) + CF4 = (CHF4+ • 3CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 67. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: (CHF4+ • CF4) + CF4 = (CHF4+ • 2CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 46. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: (F- • 2CF4) + CF4 = (F- • 3CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 71. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
By formula: (F- • 3CF4) + CF4 = (F- • 4CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
By formula: (CF3- • 2CF4) + CF4 = (CF3- • 3CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 110. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
By formula: (F- • CF4) + CF4 = (F- • 2CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
By formula: (CF3- • CF4) + CF4 = (CF3- • 2CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 100. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
By formula: C4H9+ + CF4 = (C4H9+ • CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. | kJ/mol | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 43.5 | J/mol*K | PHPMS | Sharma, Meza de Hojer, et al., 1985 | gas phase; M |
By formula: CF3+ + CF4 = (CF3+ • CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 28. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 79. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: CHF4+ + CF4 = (CHF4+ • CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 21. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 84. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
By formula: F- + CF4 = (F- • CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
By formula: CF3- + CF4 = (CF3- • CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15. | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92. | J/mol*K | PHPMS | Hiraoka, Nasu, et al., 1995 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.6 ± 9.2 | kJ/mol | Eqk | Amphlett, Dacey, et al., 1971 | gas phase; Heat of Decomposition third law at 1200 K; ALS |
By formula: 2C2F11N5 = 4CF4 + 5N2 + 3F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3009. ± 13. | kJ/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
CF5N = + 0.5 + 0.5
By formula: CF5N = CF4 + 0.5N2 + 0.5F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -226. ± 2. | kJ/mol | Ccb | Walker, 1972 | gas phase; Decompostion reaction; ALS |
+ 0.5 + 0.5 = CF5N
By formula: CF4 + 0.5N2 + 0.5F2 = CF5N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 226. ± 2. | kJ/mol | Ccb | Walker, 1972 | gas phase; Decompostion reaction; ALS |
By formula: 2CF7N3 = 2CF4 + 3N2 + 3F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1467. | kJ/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: 2CF5N3 = 2CF4 + 3N2 + F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2059. | kJ/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: CF8N4 = CF4 + 2N2 + 2F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -935.1 | kJ/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: CF6N2 = CF4 + N2 + F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -478.2 | kJ/mol | Cm | Sinke, Thompson, et al., 1967 | gas phase; Energy of explosion; ALS |
By formula: C5O5W (g) + CF4 (g) = C6F4O5W (g)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | <-20.9 | kJ/mol | EqG | Brown, Ishikawa, et al., 1990 | Temperature range: ca. 300-350 K; MS |
By formula: 3C2F3N + 5F3N = 6CF4 + 4N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -3449.3 ± 0.92 | kJ/mol | Eqk | Walker, Sinke, et al., 1970 | gas phase; ALS |
By formula: 4Na + CF4 = C + 4FNa
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1362. ± 9.2 | kJ/mol | Ccb | Vorob'ev and Skuratov, 1960 | gas phase; ALS |
By formula: CF4 + 4HF = CH4 + 4F2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1922. ± 13. | kJ/mol | Cm | Jessup, McCoskey, et al., 1955 | gas phase; ALS |
By formula: 3C2F6 + 2F3N = 6CF4 + N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1304. ± 13. | kJ/mol | Ccb | Sinke, 1966 | gas phase; ALS |
By formula: (CHF4+ • 3CF4) + CF4 = (CHF4+ • 4CF4)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 | kJ/mol | PHPMS | Hiraoka, Nasu, et al., 1996 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1037.3 | kJ/mol | Ccb | Domalski and Armstrong, 1967 | solid phase; ALS |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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
- 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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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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. |
---|---|
NIST MS number | 701 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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
VS | Very strong |
S | Strong |
ia | Inactive |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
B | 1~3 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
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, 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.,
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Notes
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- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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