Chemical Properties of Acetic acid, trifluoro-, 1,1-dimethylethyl ester (CAS 400-52-2)

Acetic acid, trifluoro-, 1,1-dimethylethyl ester

InChI
InChI=1S/C6H9F3O2/c1-5(2,3)11-4(10)6(7,8)9/h1-3H3
InChI Key
UQJLSMYQBOJUGG-UHFFFAOYSA-N
Formula
C6H9F3O2
SMILES
CC(C)(C)OC(=O)C(F)(F)F
Molecular Weight1
170.13
CAS
400-52-2
Other Names
  • Acetic acid, trifluoro-, tert-butyl ester
  • tert-Butyl trifluoroacetate
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Physical Properties

Property Value Unit Source
ΔfH°gas -1098.30 ± 6.30 kJ/mol NIST
ΔfH°liquid -1135.00 ± 4.80 kJ/mol NIST
ΔfusH° 10.08 kJ/mol Joback Calculated Property
ΔvapH° 36.70 ± 4.20 kJ/mol NIST
IE 10.89 eV Relay (1.0) Calculated Property
log10WS -0.97 Relay (1.0) Calculated Property
logPoct/wat 1.890 Crippen Calculated Property
McVol 108.150 ml/mol McGowan Calculated Property
Pc 2811.36 kPa Joback Calculated Property
Tboil 356.20 K NIST

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 [223.39; 282.18] J/mol×K [386.45; 554.05] Show Hide
Cp,gas 223.39 J/mol×K 386.45 Joback Calculated Property
Cp,gas 234.67 J/mol×K 414.38 Joback Calculated Property
Cp,gas 245.33 J/mol×K 442.32 Joback Calculated Property
Cp,gas 255.38 J/mol×K 470.25 Joback Calculated Property
Cp,gas 264.86 J/mol×K 498.18 Joback Calculated Property
Cp,gas 273.79 J/mol×K 526.11 Joback Calculated Property
Cp,gas 282.18 J/mol×K 554.05 Joback Calculated Property

Similar Compounds

Acetic acid, 1,1-dimethylethyl ester. Acetic acid, trichloro-, 1,1-dimethylethyl ester. Trifluoroacetic acid, isopropyl ester. Acetic acid, tribromo, 1,1-dimethylethyl ester. Acetic acid, chloro-, 1,1-dimethylethyl ester. Acetic acid, dichloro-, 1,1-dimethylethyl ester. Di-tert-Butyl ether. Acetic acid, bromo-, 1,1-dimethylethyl ester. Acetic acid, dibromo, 1,1-dimethylethyl ester. Formic acid, 1,1-dimethylethyl ester. Acetic acid, trifluoro-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester. tert-Butyl acrylate. Propanoic acid, 2,2-dimethyl, 1,1-dimethylethyl ester. .alpha.-Hydroxyisobutyric acid, trifluoroacetate. Carbamic acid, t-butyl ester.

Find more compounds similar to Acetic acid, trifluoro-, 1,1-dimethylethyl ester.

Sources

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