Propane, 1,1,1,3,3,3-hexafluoro-
- Formula: C3H2F6
- Molecular weight: 152.0384
- IUPAC Standard InChI: InChI=1S/C3H2F6/c4-2(5,6)1-3(7,8)9/h1H2
- IUPAC Standard InChIKey: NSGXIBWMJZWTPY-UHFFFAOYSA-N
- CAS Registry Number: 690-39-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Bistrifluoromethylmethane; 1,1,1,3,3,3-Hexafluoropropane; R 236fa; HFC-236fa; 2,2-Dihydroperfluoropropane
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Phase change data
Go To: Top, Gas phase ion energetics 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 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 | 272.1 | K | N/A | Hwang, DesMarteau, et al., 1992 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 24.5 | 303. | A | Bobbo, Camporese, et al., 2000 | Based on data from 283. to 323. K.; AC |
Gas phase ion energetics data
Go To: Top, 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: John E. Bartmess
De-protonation reactions
C3HF6- + =
By formula: C3HF6- + H+ = C3H2F6
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1522. ± 17. | kJ/mol | G+TS | McDonald, Chowdhury, et al., 1984 | gas phase; Weaker than Koppel, Taft, et al., 1994 by 12 kcal/mol, but agree with G3MP2B3 calculations better. Between PhCOCH3, CF3CH2OH.; value altered from reference due to change in acidity scale |
| ΔrH° | 1471. ± 9.2 | kJ/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF? |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1490. ± 17. | kJ/mol | IMRB | McDonald, Chowdhury, et al., 1984 | gas phase; Weaker than Koppel, Taft, et al., 1994 by 12 kcal/mol, but agree with G3MP2B3 calculations better. Between PhCOCH3, CF3CH2OH.; value altered from reference due to change in acidity scale |
| ΔrG° | 1439. ± 8.4 | kJ/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase; 12 kcal/mol stronger than McDonald, Chowdhury, et al., 1984. Dissociative proton transfer to CF3CH=CF2 and HF? |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hwang, DesMarteau, et al., 1992
Hwang, S.H.; DesMarteau, D.D.; Beyerlein, A.L.; Smith, N.D.; Joyner, P.,
The heat capacity of fluorinated propane and butane derivatives by differential scanning calorimetry,
J. Therm. Anal., 1992, 38, 2515-28. [all data]
Bobbo, Camporese, et al., 2000
Bobbo, Sergio; Camporese, Roberto; Stryjek, Roman,
( Vapour + liquid ) equilibrium measurement and correlation of the refrigerant ( propane + 1,1,1,3,3,3-hexafluoropropane) atT= ( 283.13, 303.19, and 323.26) K,
The Journal of Chemical Thermodynamics, 2000, 32, 12, 1647-1656, https://doi.org/10.1006/jcht.2000.0713
. [all data]
McDonald, Chowdhury, et al., 1984
McDonald, R.N.; Chowdhury, A.K.; McGhee, W.D.,
Gas-Phase Generation of 1,1,1,3,3,3-Hexafluoroisopropylidene Anion Radical: Proton Affinity and Heat of Formation of (CF3)2C- and (CF3)2CH-,
J. Am. Chem. Soc., 1984, 106, 15, 4112, https://doi.org/10.1021/ja00327a008
. [all data]
Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M.,
The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids,
J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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