chlorine trifluoride
- Formula: ClF3
- Molecular weight: 92.448
- CAS Registry Number: 7790-91-2
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Gas phase thermochemistry data
Go To: Top, Phase change data, 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.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -158.87 | kJ/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 281.59 | J/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
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 1100. | 1100. to 6000. |
---|---|---|
A | 60.40357 | 83.01600 |
B | 57.32582 | 0.072205 |
C | -54.42296 | -0.014656 |
D | 18.19525 | 0.001015 |
E | -0.827909 | -2.372190 |
F | -181.7576 | -190.8749 |
G | 335.2012 | 370.5422 |
H | -158.8661 | -158.8661 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
Phase change data
Go To: Top, Gas phase thermochemistry data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 285.1 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tboil | 284.9 | K | N/A | Wendoloski and Barber, 1958 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 196.94 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.15 K; TRC |
Tfus | 196.81 | K | N/A | Wendoloski and Barber, 1958 | Uncertainty assigned by TRC = 0.08 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 196.84 | K | N/A | Grisard, Bernhardt, et al., 1951 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.08 K; from melting curve in a calorimeter, To = 273.16 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.5 | 313. | Sako, Horiguchi, et al., 1997 | Based on data from 299. to 317. K.; AC |
28.4 | 288. | Grisard, Bernhardt, et al., 1951, 2 | Based on data from 226. to 303. 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 |
---|---|---|---|---|---|
192.8 to 284.7 | 4.31282 | 1182.409 | -10.335 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase thermochemistry data, Phase change data, 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: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | ClF str | 752 | C | 751 S | gas | 752.1 S p | gas | ||
a1 | 2 | ClF2 s-str | 529 | C | 530 M | gas | 529.3 VS p | gas | ||
a1 | 3 | ClF2 ip-deform | 328 | C | 328 S | gas | 337 W p | gas | OV(ν6) | |
a1 | 3 | ClF2 ip-deform | 328 | C | 328 S | gas | 321 | gas | ||
b1 | 4 | ClF2 a-str | 702 | C | 702 VS | gas | ||||
b1 | 5 | ClF2 ip-deform | 442 | C | 442 W | gas | 431 W dp | gas | ||
b2 | 6 | ClF2 op-deform | 328 | D | 328 S | gas | OV(ν3) | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
p | Polarized |
dp | Depolarized |
OV | Overlapped by band indicated in parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, 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]
Streng, 1971
Streng, A.G.,
Miscibility and Compatibility of Some Liquid and Solidified Gases at Low Temperature,
J. Chem. Eng. Data, 1971, 16, 357. [all data]
Wendoloski and Barber, 1958
Wendoloski, W.S.; Barber, E.J.,
Solid-Solid Equilibria of the System Uranium Hexafluoride-Chlorine Trifluroride,
J. Phys. Chem., 1958, 62, 750. [all data]
Grisard, Bernhardt, et al., 1951
Grisard, J.W.; Bernhardt, H.A.; Oliver, G.D.,
Thermal data, vapor pressure and entropy of chlorine tri- fluoride.,
J. Am. Chem. Soc., 1951, 73, 5725. [all data]
Sako, Horiguchi, et al., 1997
Sako, Takeshi; Horiguchi, Sadashige; Ichimaru, Hiroshi; Nakagawa, Shinsuke,
Vapor Pressure of Chlorine Trifluoride from 300 K to 317 K,
J. Chem. Eng. Data, 1997, 42, 1, 169-171, https://doi.org/10.1021/je960286g
. [all data]
Grisard, Bernhardt, et al., 1951, 2
Grisard, J.W.; Bernhardt, H.A.; Oliver, George D.,
Thermal Data, Vapor Pressure and Entropy of Chlorine Trifluoride 1,
J. Am. Chem. Soc., 1951, 73, 12, 5725-5727, https://doi.org/10.1021/ja01156a069
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfH°gas Enthalpy of formation of gas at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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