3,3,3-Trifluoropropene

Formula: C₃H₃F₃
Molecular weight: 96.0511
IUPAC Standard InChI: InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2
IUPAC Standard InChIKey: FDMFUZHCIRHGRG-UHFFFAOYSA-N
CAS Registry Number: 677-21-4
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: 1-Propene, 3,3,3-trifluoro-; Propene, 3,3,3-trifluoro-; Tifluoromethylethylene; 1,1,1-Trifluoropropene; 3,3,3-Trifluoro-1-propene; 3,3,3-Trifluoropropylene; Trifluoromethylethylene
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase ion energetics data

Go To: Top, References, Notes

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.95	EST	Takhistov and Ponomarev, 1994	LL
11.24 ± 0.04	EI	Steele and Stone, 1962	RDSH
10.9	PI	Bralsford, Harris, et al., 1960	RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CF₃⁺	15.0 ± 0.2	?	EI	Steele and Stone, 1962	RDSH
CHF₂⁺	14.9 ± 0.1	?	EI	Steele and Stone, 1962	RDSH
C₂H₂⁺	13.3 ± 0.15	?	EI	Steele and Stone, 1962	RDSH
C₂H₃⁺	14.20 ± 0.05	?	EI	Steele and Stone, 1962	RDSH
C₂H₃F⁺	13.85 ± 0.02	?	EI	Steele and Stone, 1962	RDSH
C₃HF₂⁺	14.8 ± 0.2	?	EI	Steele and Stone, 1962	RDSH
C₃H₂F₂⁺	13.8 ± 0.1	?	EI	Steele and Stone, 1962	RDSH
C₃H₂F₃⁺	12.69 ± 0.05	H	EI	Steele and Stone, 1962	RDSH
C₃H₃F₂⁺	13.3 ± 0.15	?	EI	Steele and Stone, 1962	RDSH

References

Go To: Top, Gas phase ion energetics data, Notes

Takhistov and Ponomarev, 1994
Takhistov, V.V.; Ponomarev, D.A., Isodesmic reactions and thermochemistry of ions, Org. Mass Spectrom., 1994, 29, 395. [all data]

Steele and Stone, 1962
Steele, W.C.; Stone, F.G.A., An electron impact study of 1,1,1-trifluoroethane, 1,1,1-trifluoropropane and 3,3,3-trifluoropropene, J. Am. Chem. Soc., 1962, 84, 3450. [all data]

Bralsford, Harris, et al., 1960
Bralsford, R.; Harris, P.V.; Price, W.C., The effect of fluorine on the electronic spectra and ionization potentials of molecules, Proc. Roy. Soc. (London), 1960, A258, 459. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

Symbols used in this document:

AE Appearance energy
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.