- InChI
- InChI=1S/C7H11Br3O2/c1-3-4-5(2)12-6(11)7(8,9)10/h5H,3-4H2,1-2H3
- InChI Key
- MJLVEJKVDIYJEE-UHFFFAOYSA-N
- Formula
- C7H11Br3O2
- SMILES
- CCCC(C)OC(=O)C(Br)(Br)Br
- Molecular Weight1
- 366.87
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -182.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.95 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.557 | Crippen Calculated Property | |
| McVol | 169.430 | ml/mol | McGowan Calculated Property |
| Pc | 3857.88 | kPa | Joback Calculated Property |
| Inp | [1458.00; 1458.00] |
|
|
| Inp | 1458.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Tboil | 630.66 | K | Joback Calculated Property |
| Tc | 866.79 | K | Joback Calculated Property |
| Tfus | 407.63 | K | Joback Calculated Property |
| Vc | 0.621 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.87; 397.29] | J/mol×K | [630.66; 866.79] |
|
| Cp,gas | 347.87 | J/mol×K | 630.66 | Joback Calculated Property |
| Cp,gas | 357.83 | J/mol×K | 670.01 | Joback Calculated Property |
| Cp,gas | 367.01 | J/mol×K | 709.37 | Joback Calculated Property |
| Cp,gas | 375.48 | J/mol×K | 748.72 | Joback Calculated Property |
| Cp,gas | 383.30 | J/mol×K | 788.08 | Joback Calculated Property |
| Cp,gas | 390.55 | J/mol×K | 827.43 | Joback Calculated Property |
| Cp,gas | 397.29 | J/mol×K | 866.79 | Joback Calculated Property |
| η | [0.0001894; 0.0016153] | Pa×s | [407.63; 630.66] |
|
| η | 0.0016153 | Pa×s | 407.63 | Joback Calculated Property |
| η | 0.0009734 | Pa×s | 444.80 | Joback Calculated Property |
| η | 0.0006342 | Pa×s | 481.97 | Joback Calculated Property |
| η | 0.0004394 | Pa×s | 519.14 | Joback Calculated Property |
| η | 0.0003197 | Pa×s | 556.32 | Joback Calculated Property |
| η | 0.0002421 | Pa×s | 593.49 | Joback Calculated Property |
| η | 0.0001894 | Pa×s | 630.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, tribromo, 1-methylbutyl ester.
Sources
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