Chemical Properties of Dichloroacetic acid 3-methylbutyl ester (CAS 37587-83-0)

Dichloroacetic acid 3-methylbutyl ester

InChI
InChI=1S/C7H12Cl2O2/c1-5(2)3-4-11-7(10)6(8)9/h5-6H,3-4H2,1-2H3
InChI Key
UQQSGXRKRFDREY-UHFFFAOYSA-N
Formula
C7H12Cl2O2
SMILES
CC(C)CCOC(=O)C(Cl)Cl
Molecular Weight1
199.07
CAS
37587-83-0
Other Names
  • Acetic acid, dichloro, 3-methylbutyl ester
  • Isopentyl dichloroacetate
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Physical Properties

Property Value Unit Source
ΔfH°gas -537.04 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.60 kJ/mol Joback Calculated Property
ΔvapH° 54.54 kJ/mol Relay (1.0) Calculated Property
IE 10.61 eV Relay (1.0) Calculated Property
log10WS -2.52 Relay (1.0) Calculated Property
logPoct/wat 2.379 Crippen Calculated Property
McVol 141.410 ml/mol McGowan Calculated Property
Pc 2648.83 kPa Joback Calculated Property
Inp 1133.00 NIST
Tboil 468.28 K Relay (1.0) Calculated Property
Tc 666.65 K Relay (1.0) Calculated Property
Tfus 229.60 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [287.81; 347.47] J/mol×K [491.96; 685.34] Show Hide
Cp,gas 287.81 J/mol×K 491.96 Joback Calculated Property
Cp,gas 299.08 J/mol×K 524.19 Joback Calculated Property
Cp,gas 309.81 J/mol×K 556.42 Joback Calculated Property
Cp,gas 320.01 J/mol×K 588.65 Joback Calculated Property
Cp,gas 329.68 J/mol×K 620.88 Joback Calculated Property
Cp,gas 338.83 J/mol×K 653.11 Joback Calculated Property
Cp,gas 347.47 J/mol×K 685.34 Joback Calculated Property
η [0.0002361; 0.0102239] Pa×s [240.82; 491.96] Show Hide
η 0.0102239 Pa×s 240.82 Joback Calculated Property
η 0.0034273 Pa×s 282.68 Joback Calculated Property
η 0.0015231 Pa×s 324.53 Joback Calculated Property
η 0.0008146 Pa×s 366.39 Joback Calculated Property
η 0.0004954 Pa×s 408.25 Joback Calculated Property
η 0.0003304 Pa×s 450.10 Joback Calculated Property
η 0.0002361 Pa×s 491.96 Joback Calculated Property

Similar Compounds

Chloroacetic acid 3-methylbutyl ester. Trichloroacetic acid 3-methylbutyl ester. 1-Butanol, 3-methyl-, acetate. Isopentyl 2-chloropropanoate. Dichloroacetic acid butyl ester. 1-Butanol, 3-methyl-, propanoate. Isopentyl iodoacetate. Bromoacetic acid, 3-methylbutyl ester. PROPAN-1,3-DIOC ACID, DI[3-METHYLBUTYL] ESTER. Acetic acid, dibromo, 3-methylbutyl ester. BUTANOIC ACID, 3-METHYL-, 3-METHYLBUTYL ESTER. Dichloroacetic acid, pentyl ester. Propanoic acid, 2-methyl-, 3-methylbutyl ester. Ethanedioic acid, bis(3-methylbutyl) ester. 3-Chloropropanoic acid 3-methylbutyl ester.

Find more compounds similar to Dichloroacetic acid 3-methylbutyl ester.

Sources

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