Chemical Properties of 1-Propyne, 3,3,3-trifluoro- (CAS 661-54-1)

1-Propyne, 3,3,3-trifluoro-

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InChI
InChI=1S/C3HF3/c1-2-3(4,5)6/h1H
InChI Key
PRDFNJUWGIQQBW-UHFFFAOYSA-N
Formula
C3HF3
SMILES
C#CC(F)(F)F
Molecular Weight1
94.04
CAS
661-54-1
Other Names
  • 1,1,1-Trifluoropropyne
  • 1-Propyne, 3,3,3-trifluoro-
  • 3,3,3-Trifluoro-1-propyne
  • 3,3,3-Trifluoropropyne
  • CF3C«equiv»CH
  • Propyne, 3,3,3-trifluoro-
Sources

Physical Properties

Property Value Unit Source
Δf -384.14 kJ/mol Joback Calculated Property
Δfgas -410.43 kJ/mol Joback Calculated Property
Δfus 8.33 kJ/mol Joback Calculated Property
Δvap 18.38 kJ/mol Joback Calculated Property
IE 11.96 ± 0.02 eV NIST
IE 11.83 eV NIST
logPoct/wat 1.18 Crippen Calculated Property
Pc 4602.62 kPa Joback Calculated Property
Tboil 225.00 K NIST
Tc 404.30 K Joback Calculated Property
Tfus 174.73 K Joback Calculated Property
Vc 0.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 77.10 J/mol×K 252.74 Joback Calculated Property
ΔvapH 21.50 kJ/mol 175.5 NIST

Molecular Descriptors

Joback and Reid Groups
#C- 1
-F 3
>C< 1
#CH 1

Similar Compounds

1-Propyne, 1,3,3,3-tetrafluoro-. 2-Butyne, 1,1,1,4,4,4-hexafluoro-. Ethane, 1,1,1-trifluoro-. 2,2,2-Trifluoroethyl radical. 2-Butynenitrile, 4,4,4-trifluoro-. Propyne, 3-fluoro-. 2,4-Hexadiyne, 1,1,1,6,6,6-hexafluoro-. 1,3-Pentadiyne, 1,5,5,5-tetrafluoro-. Ethane, 1,1,1,2-tetrafluoro-. Ethanal, trifluoro. 1,1,1-Trifluoropropane. Propene, 3,3,3-trifluoro-. Ethane, 1,1-difluoro-. Ethylamine, 2,2,2-trifluoro-,hydrochloride. 1,1,1-Trifluoro-2-iodoethane.

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