Chemical Properties of Acetic acid, trifluoro-, 3-methylphenyl ester (CAS 1736-09-0)

Acetic acid, trifluoro-, 3-methylphenyl ester

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InChI
InChI=1S/C9H7F3O2/c1-6-3-2-4-7(5-6)14-8(13)9(10,11)12/h2-5H,1H3
InChI Key
FXNFSBCSHQEHSB-UHFFFAOYSA-N
Formula
C9H7F3O2
SMILES
Cc1cccc(OC(=O)C(F)(F)F)c1
Molecular Weight1
204.15
CAS
1736-09-0
Other Names
  • 3-Methylphenyl trifluoroacetate
  • Acetic acid, trifluoro-, m-tolyl ester
  • Trifluoroacetic acid, 3-methylphenyl ester
  • Trifluoroacetic acid, 3-tolyl ester
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Physical Properties

Property Value Unit Source
Δf -687.83 kJ/mol Joback Calculated Property
Δfgas -845.91 kJ/mol Joback Calculated Property
Δfus 17.33 kJ/mol Joback Calculated Property
Δvap 43.98 kJ/mol Joback Calculated Property
log10WS -2.92 Crippen Calculated Property
logPoct/wat 2.463 Crippen Calculated Property
McVol 126.660 ml/mol McGowan Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 507.85 K Joback Calculated Property
Tc 706.00 K Joback Calculated Property
Tfus 306.48 K Joback Calculated Property
Vc 0.498 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [284.63; 342.69] J/mol×K [507.85; 706.00] Show Hide
Cp,gas 284.63 J/mol×K 507.85 Joback Calculated Property
Cp,gas 295.99 J/mol×K 540.87 Joback Calculated Property
Cp,gas 306.64 J/mol×K 573.90 Joback Calculated Property
Cp,gas 316.61 J/mol×K 606.92 Joback Calculated Property
Cp,gas 325.92 J/mol×K 639.95 Joback Calculated Property
Cp,gas 334.60 J/mol×K 672.97 Joback Calculated Property
Cp,gas 342.69 J/mol×K 706.00 Joback Calculated Property
ΔvapH 47.40 kJ/mol 401.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [329.93; 465.96] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.61363e+01
Coefficient B-4.64500e+03
Coefficient C-3.68500e+01
Temperature range, min.329.93
Temperature range, max.465.96
Pvap 1.33 kPa 329.93 Calculated Property
Pvap 2.90 kPa 345.04 Calculated Property
Pvap 5.87 kPa 360.16 Calculated Property
Pvap 11.14 kPa 375.27 Calculated Property
Pvap 20.04 kPa 390.39 Calculated Property
Pvap 34.34 kPa 405.50 Calculated Property
Pvap 56.41 kPa 420.62 Calculated Property
Pvap 89.23 kPa 435.73 Calculated Property
Pvap 136.50 kPa 450.85 Calculated Property
Pvap 202.66 kPa 465.96 Calculated Property

Similar Compounds

m-Cresyl acetate. Trichloroacetic acid, 3-methylphenyl ester. Chloroacetic acid, 3-methylphenyl ester. Dichloroacetic acid, 3-methylphenyl ester. Orcinol, bis(trifluoroacetate). Acetic acid, trifluoro-, 4-methylphenyl ester. 3,5-Dimethylphenyl 2,2,2-trifluoroacetate. 2,5-Dimethylphenol trifluoroacetate. Heptafluorobutyric acid, 3-methyl ester. 2,2-Dimethylpropanoic acid, 3-methylphenyl ester. Diglycolic acid, di(3-methylphenyl) ester. 3-Hydroxybenzyl alcohol, bis(trifluoroacetate). Benzene, 1-methoxy-3-methyl-. Phenol, 3,4-dimethyl-, acetate. 3-Methylcatechol, bis(trifluoroacetate).

Find more compounds similar to Acetic acid, trifluoro-, 3-methylphenyl ester.

Sources

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