Chemical Properties of Acetic acid, tribromo, 3-methylbutyl ester

Acetic acid, tribromo, 3-methylbutyl ester

InChI
InChI=1S/C7H11Br3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
InChI Key
MQOMZSFUDDSYJF-UHFFFAOYSA-N
Formula
C7H11Br3O2
SMILES
CC(C)CCOC(=O)C(Br)(Br)Br
Molecular Weight1
366.87
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Physical Properties

Property Value Unit Source
ΔfH°gas -344.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.17 kJ/mol Joback Calculated Property
ΔvapH° 63.94 kJ/mol Relay (1.0) Calculated Property
log10WS -4.47 Relay (1.0) Calculated Property
logPoct/wat 3.414 Crippen Calculated Property
McVol 169.430 ml/mol McGowan Calculated Property
Pc 3668.65 kPa Joback Calculated Property
Inp [1492.00; 1492.00]   Show Hide
Inp 1492.00 NIST
Inp 1492.00 NIST
Tboil 528.71 K Relay (1.0) Calculated Property
Tc 707.95 K Relay (1.0) Calculated Property
Tfus 238.54 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [210.50; 417.79] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.03520e+01
Coefficient B8.60340e-01
Coefficient C-6.51600e-04
Coefficient D1.88700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 210.50 J/mol×K 273.00 Calculated Property
Cp,gas 251.52 J/mol×K 353.78 Calculated Property
Cp,gas 286.66 J/mol×K 434.56 Calculated Property
Cp,gas 316.49 J/mol×K 515.33 Calculated Property
Cp,gas 341.64 J/mol×K 596.11 Calculated Property
Cp,gas 362.68 J/mol×K 676.89 Calculated Property
Cp,gas 380.22 J/mol×K 757.67 Calculated Property
Cp,gas 394.85 J/mol×K 838.44 Calculated Property
Cp,gas 407.18 J/mol×K 919.22 Calculated Property
Cp,gas 417.79 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0021920; 0.0002003] Pa×s [377.80; 592.86] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.27190e+01
Coefficient B2.49198e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.377.80
Temperature range, max.592.86
η 0.0021920 Pa×s 377.80 Calculated Property
η 0.0014806 Pa×s 401.70 Calculated Property
η 0.0010451 Pa×s 425.59 Calculated Property
η 0.0007656 Pa×s 449.49 Calculated Property
η 0.0005787 Pa×s 473.38 Calculated Property
η 0.0004493 Pa×s 497.28 Calculated Property
η 0.0003571 Pa×s 521.17 Calculated Property
η 0.0002896 Pa×s 545.07 Calculated Property
η 0.0002390 Pa×s 568.96 Calculated Property
η 0.0002003 Pa×s 592.86 Calculated Property

Similar Compounds

Acetic acid, dibromo, 3-methylbutyl ester. Bromoacetic acid, 3-methylbutyl ester. 1-Butanol, 3-methyl-, acetate. Acetic acid, trifluoro-, 3-methylbutyl ester. Trichloroacetic acid 3-methylbutyl ester. 2-Bromopropionic acid, 3-methylbutyl ester. Ethanedioic acid, bis(3-methylbutyl) ester. 1-Butanol, 3-methyl-, propanoate. Chloroacetic acid 3-methylbutyl ester. Propanoic acid, 2-methyl-, 3-methylbutyl ester. Dichloroacetic acid 3-methylbutyl ester. PROPAN-1,3-DIOC ACID, DI[3-METHYLBUTYL] ESTER. Isopentyl iodoacetate. 1-Butanol, 3-methyl-, formate. Propanoic acid, 3-bromo, 3-methylbutyl ester.

Find more compounds similar to Acetic acid, tribromo, 3-methylbutyl ester.

Sources

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