Chemical Properties of 1-Ethynyl-3,5-bis(trifluoromethyl)benzene (CAS 88444-81-9)

1-Ethynyl-3,5-bis(trifluoromethyl)benzene

InChI
InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H
InChI Key
MAHIBRPXUPUAIF-UHFFFAOYSA-N
Formula
C10H4F6
SMILES
C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Molecular Weight1
238.13
CAS
88444-81-9
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Physical Properties

Property Value Unit Source
ΔfusH° 21.55 kJ/mol Joback Calculated Property
IE 9.35 eV Relay (1.0) Calculated Property
logPoct/wat 3.706 Crippen Calculated Property
McVol 130.020 ml/mol McGowan Calculated Property
Inp [812.10; 812.10]   Show Hide
Inp 812.10 NIST
Inp 812.10 NIST
Tboil 428.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [282.91; 339.91] J/mol×K [444.32; 627.83] Show Hide
Cp,gas 282.91 J/mol×K 444.32 Joback Calculated Property
Cp,gas 294.39 J/mol×K 474.90 Joback Calculated Property
Cp,gas 305.01 J/mol×K 505.49 Joback Calculated Property
Cp,gas 314.83 J/mol×K 536.07 Joback Calculated Property
Cp,gas 323.88 J/mol×K 566.66 Joback Calculated Property
Cp,gas 332.23 J/mol×K 597.24 Joback Calculated Property
Cp,gas 339.91 J/mol×K 627.83 Joback Calculated Property

Similar Compounds

3-CF3-C6H4-CCH. 1,3,5-Tris(trifluoromethyl)benzene. Benzonitrile, 3,5-bis(trifluoromethyl)-. Benzene, 1,3-bis(trifluoromethyl)-. 3,5-BIS(TRIFLUOROMETHYL)BROMOBENZENE. M-xylene, alpha,alpha,alpha,alpha',alpha',alpha',5-heptafluoro-. 3,5-Bis(trifluoromethyl)benzaldehyde. m-Trifluoromethylbenzonitrile. 3,5-Bis(trifluoromethyl)phenol. 3,5-Bis(trifluoromethyl)benzoic acid. 3,5-Bis(trifluoromethyl)thiophenol. 3,5-Bis(trifluoromethyl)benzyl chloride. 3,5-Bis(trifluoromethyl)benzyl bromide. 3,5-(CH3)2-C6H3-CCH. 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone.

Find more compounds similar to 1-Ethynyl-3,5-bis(trifluoromethyl)benzene.

Sources

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