Chemical Properties of Dichloroacetic acid butyl ester (CAS 29003-73-4)

Dichloroacetic acid butyl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H10Cl2O2/c1-2-3-4-10-6(9)5(7)8/h5H,2-4H2,1H3
InChI Key
MASXONVJEAXEIV-UHFFFAOYSA-N
Formula
C6H10Cl2O2
SMILES
CCCCOC(=O)C(Cl)Cl
Molecular Weight1
185.05
CAS
29003-73-4
Other Names
  • Acetic acid, dichloro-, butyl ester
  • Butyl dichloroacetate
  • 1-Butanol, dichloroacetate
  • n-Butyl dichloroacetate
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δcliquid [-3283.30; -3279.00] kJ/mol Show Hide
Δcliquid -3283.30 ± 4.20 kJ/mol NIST
Δcliquid -3279.00 kJ/mol NIST
Δf -260.58 kJ/mol Joback Calculated Property
Δfgas -497.90 ± 9.60 kJ/mol NIST
Δfliquid -550.20 ± 8.40 kJ/mol NIST
Δfus 18.95 kJ/mol Joback Calculated Property
Δvap 52.30 ± 4.20 kJ/mol NIST
log10WS -2.11 Crippen Calculated Property
logPoct/wat 2.133 Crippen Calculated Property
McVol 127.320 ml/mol McGowan Calculated Property
Pc 3038.96 kPa Joback Calculated Property
Inp [1061.00; 1088.00]   Show Hide
Inp 1061.00 NIST
Inp 1061.00 NIST
Inp 1072.00 NIST
Inp 1070.00 NIST
Inp 1081.00 NIST
Inp 1072.00 NIST
Inp Outlier 1088.00 NIST
Inp 1069.80 NIST
Inp 1061.00 NIST
Inp 1072.00 NIST
I [1542.00; 1575.00]   Show Hide
I 1542.00 NIST
I 1562.00 NIST
I 1554.00 NIST
I 1559.00 NIST
I 1575.00 NIST
I 1542.00 NIST
Tboil 487.39 K Joback Calculated Property
Tc 681.93 K Joback Calculated Property
Tfus 274.38 K Joback Calculated Property
Vc 0.487 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [249.20; 300.33] J/mol×K [487.39; 681.93] Show Hide
Cp,gas 249.20 J/mol×K 487.39 Joback Calculated Property
Cp,gas 258.74 J/mol×K 519.81 Joback Calculated Property
Cp,gas 267.87 J/mol×K 552.24 Joback Calculated Property
Cp,gas 276.59 J/mol×K 584.66 Joback Calculated Property
Cp,gas 284.91 J/mol×K 617.08 Joback Calculated Property
Cp,gas 292.82 J/mol×K 649.50 Joback Calculated Property
Cp,gas 300.33 J/mol×K 681.93 Joback Calculated Property
η [0.0002910; 0.0038678] Pa×s [274.38; 487.39] Show Hide
η 0.0038678 Pa×s 274.38 Joback Calculated Property
η 0.0019631 Pa×s 309.88 Joback Calculated Property
η 0.0011455 Pa×s 345.38 Joback Calculated Property
η 0.0007390 Pa×s 380.88 Joback Calculated Property
η 0.0005137 Pa×s 416.39 Joback Calculated Property
η 0.0003781 Pa×s 451.89 Joback Calculated Property
η 0.0002910 Pa×s 487.39 Joback Calculated Property

Similar Compounds

Acetic acid, chloro-, butyl ester. Dichloroacetic acid, pentyl ester. Trichloroacetic acid butyl ester. Dichloroacetic acid, hexyl ester. Acetic acid, dichloro-, heptyl ester. Dichloroacetic acid, tetradecyl ester. Hexadecyl dichloroacetate. Dichloroacetic acid, dodecyl ester. Dichloroacetic acid, decyl ester. Octyl dichloroacetate. Dichloroacetic acid, nonyl ester. Acetic acid, chloro-, pentyl ester. butyl-d3 acetate. Acetic acid, butyl ester. Dichloroacetic acid 3-methylbutyl ester.

Find more compounds similar to Dichloroacetic acid butyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.