Chemical Properties of Butyl trifluoroacetate (CAS 367-64-6)

Butyl trifluoroacetate

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InChI
InChI=1S/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
InChI Key
CLDYDTBRUJPBGU-UHFFFAOYSA-N
Formula
C6H9F3O2
SMILES
CCCCOC(=O)C(F)(F)F
Molecular Weight1
170.13
CAS
367-64-6
Other Names
  • Trifluoroacetic acid, n-butyl ester
  • Butyl 2,2,2-trifluoroacetate
  • 1-Butanol, trifluoroacetate
  • n-Butyl trifluoroacetate
  • Acetic acid, trifluoro-, butyl ester
  • CF3CO2(n-C4H9)
  • Trifluoroacetic acid, butyl ester
  • CF3C(O)O(CH2)3CH3
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Physical Properties

Property Value Unit Source
PAff 764.80 kJ/mol NIST
BasG 733.80 kJ/mol NIST
Δf -815.87 kJ/mol Joback Calculated Property
Δfgas -1009.05 kJ/mol Joback Calculated Property
Δfus 15.91 kJ/mol Joback Calculated Property
Δvap 34.36 kJ/mol Joback Calculated Property
log10WS -1.86 Crippen Calculated Property
logPoct/wat 1.892 Crippen Calculated Property
McVol 108.150 ml/mol McGowan Calculated Property
Pc 2878.12 kPa Joback Calculated Property
Inp [652.00; 678.80]   Show Hide
Inp 654.00 NIST
Inp 654.20 NIST
Inp 664.30 NIST
Inp 652.00 NIST
Inp Outlier 678.80 NIST
Inp 654.00 NIST
I [814.00; 814.00]   Show Hide
I 814.00 NIST
I 814.00 NIST
Tboil 373.30 K NIST
Tc 568.90 K Joback Calculated Property
Tfus 233.73 K Joback Calculated Property
Vc 0.439 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [226.81; 278.54] J/mol×K [407.55; 568.90] Show Hide
Cp,gas 226.81 J/mol×K 407.55 Joback Calculated Property
Cp,gas 236.43 J/mol×K 434.44 Joback Calculated Property
Cp,gas 245.63 J/mol×K 461.33 Joback Calculated Property
Cp,gas 254.43 J/mol×K 488.23 Joback Calculated Property
Cp,gas 262.84 J/mol×K 515.12 Joback Calculated Property
Cp,gas 270.88 J/mol×K 542.01 Joback Calculated Property
Cp,gas 278.54 J/mol×K 568.90 Joback Calculated Property
ΔvapH 37.80 kJ/mol 360.00 NIST

Similar Compounds

1-Pentanol, trifluoroacetate. Hexyl trifluoroacetate. Trifluoroacetic acid, heptyl ester. Heptacosyl trifluoroacetate. 1-Octyl trifluoroacetate. Trifluoroacetic acid, pentadecyl ester. Tricosyl trifluoroacetate. Acetic acid, trifluoro-, dodecyl ester. Octadecyl trifluoroacetate. Hexatriacontyl trifluoroacetate. Octatriacontyl trifluoroacetate. Octacosyl trifluoroacetate. Trifluoroacetic acid,n-tridecyl ester. Trifluoroacetoxy hexadecane. Tetratriacontyl trifluoroacetate.

Find more compounds similar to Butyl trifluoroacetate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.