Fluoroform
- Formula: CHF3
- Molecular weight: 70.0138
- IUPAC Standard InChIKey: XPDWGBQVDMORPB-UHFFFAOYSA-N
- CAS Registry Number: 75-46-7
- 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: Methane, trifluoro-; Arcton 1; Fluoryl; Freon F-23; Freon 23; Genetron 23; Methyl trifluoride; R 23; Trifluoromethane; CHF3; Arcton; Halocarbon 23; UN 1984; Carbon trifluoride; Genetron HFC23; Propellant 23; Refrigerant 23; FC 23 (fluorocarbon); FC 23; R 23 (halocarbon); HFC 23
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Gas phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 | -166.60 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1969 |
ΔfH°gas | -165.1 | kcal/mol | Eqk | Goy, Lord, et al., 1967 | ALS |
ΔfH°gas | -166.21 ± 0.65 | kcal/mol | Ccr | Neugebauer and Margrave, 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -162.60 ± 0.65 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -17.10 ± 0.17 | kcal/mol | Eqk | Goy, Lord, et al., 1967 | ALS |
ΔcH°gas | -123.4 | kcal/mol | Ccr | Neugebauer and Margrave, 1957 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 62.058 | cal/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 (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 1200. | 1200. to 6000. |
---|---|---|
A | 1.544860 | 24.02849 |
B | 44.31960 | 0.940877 |
C | -33.67280 | -0.180932 |
D | 9.524190 | 0.012059 |
E | 0.015419 | -3.230600 |
F | -168.7010 | -181.5140 |
G | 52.21269 | 80.40559 |
H | -166.6000 | -166.6000 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1969 | Data last reviewed in June, 1969 |
Phase change data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 |
---|---|---|---|---|---|
Tboil | 188.7 | K | N/A | PCR Inc., 1990 | BS |
Tboil | 191.0 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tboil | 189. | K | N/A | Croll and Scott, 1964 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 189. | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 110.2 | K | N/A | Streng, 1971 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 117.97 | K | N/A | Valentine, Brodale, et al., 1962 | Uncertainty assigned by TRC = 0.05 K; TRC |
Tfus | 113. | K | N/A | Thorp and Scott, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 117.97 | K | N/A | Valentine, Brodale, et al., 1962 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 299.1 ± 0.3 | K | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 47.65 | atm | N/A | Ohgaki, Umezono, et al., 1990 | Uncertainty assigned by TRC = 0.25 atm; TRC |
Pc | 47.532 | atm | N/A | Hori, Okazaki, et al., 1982 | Uncertainty assigned by TRC = 0.02 atm; TRC |
Pc | 49.7000 | atm | N/A | Wagner, 1968 | Uncertainty assigned by TRC = 0.09998 atm; TRC |
Pc | 47.7288 | atm | N/A | Hou and Martin, 1959 | Uncertainty assigned by TRC = 0.0680 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 7.5 ± 0.1 | mol/l | AVG | N/A | Average of 6 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.9940 | 190.97 | N/A | Valentine, Brodale, et al., 1962, 2 | P = 101.325 kPa.; DH |
4.33 | 175. | A | Stephenson and Malanowski, 1987 | Based on data from 138. to 190. K.; AC |
4.02 | 213. | A | Stephenson and Malanowski, 1987 | Based on data from 198. to 298. K.; AC |
4.30 | 177. | N/A | Valentine, Brodale, et al., 1962, 2 | Based on data from 146. to 192. K.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.91 | 190.97 | Valentine, Brodale, et al., 1962, 2 | P; 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 to 191.19 | 4.24977 | 718.089 | -22.013 | Valentine, Brodale, et al., 1962, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.12 | 103. | Stephenson and Malanowski, 1987 | Based on data from 89. to 118. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.9699 | 117.97 | Valentine, Brodale, et al., 1962, 2 | DH |
0.970 | 118. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.222 | 117.97 | Valentine, Brodale, et al., 1962, 2 | DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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 | 268 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 202. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 202. | Zenkevich, 1996 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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]
Goy, Lord, et al., 1967
Goy, C.A.; Lord, A.; Pritchard, H.O.,
Kinetics and thermodynamics of the reaction between iodine and fluoroform and the heat of formation of trifluoromethyl iodide,
J. Phys. Chem., 1967, 71, 1086-1089. [all data]
Neugebauer and Margrave, 1957
Neugebauer, C.A.; Margrave, J.L.,
Heats of formation of the fluoromethanes and fluoroethylenes,
Tech. Rept., 1957, 1-45. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
PCR Inc., 1990
PCR Inc.,
Research Chemicals Catalog 1990-1991, PCR Inc., Gainesville, FL, 1990, 1. [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]
Croll and Scott, 1964
Croll, I.M.; Scott, R.L.,
Fluorocarbon Solutions at Low Termperatures IV. The Liquid Mixtures CH4 + CClF3, CH2F2 + CClF3, CHF3 + CClF3, CF4 + CClF3, C2H6 + CClF3, C2H6 + CF4, and CHF3 + CF4,
J. Phys. Chem., 1964, 68, 3853. [all data]
Thorp and Scott, 1956
Thorp, N.; Scott, R.L.,
Fluorocarbon solutions at low termperatures. I. The liquid mixtures CF4-CHF3, CF4-CH4, CF4-Kr, CH4-Kr.,
J. Phys. Chem., 1956, 60, 670. [all data]
Valentine, Brodale, et al., 1962
Valentine, R.H.; Brodale, G.E.; Giauque, W.F.,
Trifluoromethane: entropy,low temp. heat capacity, heats of fusion and vaporization, and vapor pressure,
J. Phys. Chem., 1962, 66, 392. [all data]
Ohgaki, Umezono, et al., 1990
Ohgaki, K.; Umezono, S.; Katayama, T.,
Pressure-density-temperature (p-ρ-T) relations of fluoroform, nitrous oxide, and propene in the critical region,
J. Supercrit. Fluids, 1990, 3, 78-84. [all data]
Hori, Okazaki, et al., 1982
Hori, K.; Okazaki, S.; Uematsu, M.; Watanabe, K.,
An Experimental Study of Thermodynamic Properties of Trifluoromethane
in Proc. Symp. Thermophys. Prop., 8th, 1981, Gaithersburg, Vol. II, Sengers, J. V., Ed., ASME: New York, p. 370-6, 1982. [all data]
Wagner, 1968
Wagner, W.,
Thermodynamic properties of trifluoromethane,
Kaeltetech.-Klim., 1968, 20, 238-40. [all data]
Hou and Martin, 1959
Hou, Y.-C.; Martin, J.J.,
Physical and Thermodynamic properties of trifluoromethane,
AIChE J., 1959, 5, 125. [all data]
Valentine, Brodale, et al., 1962, 2
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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations,
Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion 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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