Chemical Properties of Trichloroacetic acid butyl ester (CAS 3657-07-6)

Trichloroacetic acid butyl ester

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InChI
InChI=1S/C6H9Cl3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
InChI Key
SECVZLDDYUWJAC-UHFFFAOYSA-N
Formula
C6H9Cl3O2
SMILES
CCCCOC(=O)C(Cl)(Cl)Cl
Molecular Weight1
219.49
CAS
3657-07-6
Other Names
  • Butyl trichloroacetate
  • Acetic acid, trichloro-, butyl ester
  • n-Butyl trichloroacetate
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Physical Properties

Property Value Unit Source
Δcliquid [-3168.20; -3161.00] kJ/mol Show Hide
Δcliquid -3168.20 ± 4.20 kJ/mol NIST
Δcliquid -3161.00 kJ/mol NIST
Δf -267.23 kJ/mol Joback Calculated Property
Δfgas -492.90 ± 9.60 kJ/mol NIST
Δfliquid -546.40 ± 8.40 kJ/mol NIST
Δfus 19.26 kJ/mol Joback Calculated Property
Δvap 53.60 ± 4.20 kJ/mol NIST
log10WS -2.76 Crippen Calculated Property
logPoct/wat 2.700 Crippen Calculated Property
McVol 139.560 ml/mol McGowan Calculated Property
Pc 2953.69 kPa Joback Calculated Property
Inp [1117.00; 1178.00]   Show Hide
Inp 1127.00 NIST
Inp 1117.00 NIST
Inp 1148.00 NIST
Inp 1156.00 NIST
Inp 1153.00 NIST
Inp 1161.00 NIST
Inp 1173.00 NIST
Inp 1144.50 NIST
Inp 1178.00 NIST
Inp 1142.00 NIST
I [1542.00; 1587.00]   Show Hide
I 1542.00 NIST
I 1543.00 NIST
I 1550.00 NIST
I 1554.00 NIST
I Outlier 1587.00 NIST
I 1542.00 NIST
Tboil 522.03 K Joback Calculated Property
Tc 729.87 K Joback Calculated Property
Tfus 321.72 K Joback Calculated Property
Vc 0.531 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [275.69; 324.26] J/mol×K [522.03; 729.87] Show Hide
Cp,gas 275.69 J/mol×K 522.03 Joback Calculated Property
Cp,gas 285.19 J/mol×K 556.67 Joback Calculated Property
Cp,gas 294.09 J/mol×K 591.31 Joback Calculated Property
Cp,gas 302.43 J/mol×K 625.95 Joback Calculated Property
Cp,gas 310.22 J/mol×K 660.59 Joback Calculated Property
Cp,gas 317.49 J/mol×K 695.23 Joback Calculated Property
Cp,gas 324.26 J/mol×K 729.87 Joback Calculated Property
η [0.0002830; 0.0030680] Pa×s [321.72; 522.03] Show Hide
η 0.0030680 Pa×s 321.72 Joback Calculated Property
η 0.0017110 Pa×s 355.11 Joback Calculated Property
η 0.0010550 Pa×s 388.49 Joback Calculated Property
η 0.0007022 Pa×s 421.88 Joback Calculated Property
η 0.0004962 Pa×s 455.26 Joback Calculated Property
η 0.0003676 Pa×s 488.64 Joback Calculated Property
η 0.0002830 Pa×s 522.03 Joback Calculated Property

Similar Compounds

Dichloroacetic acid butyl ester. Trichloroacetic acid, pentyl ester. Acetic acid, chloro-, butyl ester. Trichloroacetic acid, hexyl ester. Acetic acid, trichloro-, heptyl ester. Trichloroacetic acid, tridecyl ester. Trichloroacetic acid, decyl ester. Trichloroacetic acid, tetradecyl ester. Acetic acid, trichloro-, octyl ester. Trichloroacetic acid, hexadecyl ester. Acetic acid, trichloro-, nonyl ester. Trichloroacetic acid, undecyl ester. Trichloroacetic acid, dodecyl ester. Trichloroacetic acid, pentadecyl ester. trichloroacetic acid, stearyl ester.

Find more compounds similar to Trichloroacetic acid butyl ester.

Sources

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