- InChI
- InChI=1S/C7H11Br3O2/c1-4(2)5(3)12-6(11)7(8,9)10/h4-5H,1-3H3
- InChI Key
- AIOAXQWRROPLIL-UHFFFAOYSA-N
- Formula
- C7H11Br3O2
- SMILES
- CC(C)C(C)OC(=O)C(Br)(Br)Br
- Molecular Weight1
- 366.87
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5899 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -352.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.413 | Crippen Calculated Property | |
| McVol | 169.430 | ml/mol | McGowan Calculated Property |
| Pc | 3896.50 | kPa | Joback Calculated Property |
| Inp | 1446.00 | NIST | |
| Tboil | 516.94 | K | Relay (1.0) Calculated Property |
| Tc | 695.87 | K | Relay (1.0) Calculated Property |
| Tfus | 272.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.40; 398.78] | J/mol×K | [630.22; 871.47] | 
|
| Cp,gas | 348.40 | J/mol×K | 630.22 | Joback Calculated Property |
| Cp,gas | 358.62 | J/mol×K | 670.43 | Joback Calculated Property |
| Cp,gas | 368.02 | J/mol×K | 710.64 | Joback Calculated Property |
| Cp,gas | 376.66 | J/mol×K | 750.84 | Joback Calculated Property |
| Cp,gas | 384.62 | J/mol×K | 791.05 | Joback Calculated Property |
| Cp,gas | 391.97 | J/mol×K | 831.26 | Joback Calculated Property |
| Cp,gas | 398.78 | J/mol×K | 871.47 | Joback Calculated Property |
| η | [0.0001764; 0.0019609] | Pa×s | [392.63; 630.22] |
|
| η | 0.0019609 | Pa×s | 392.63 | Joback Calculated Property |
| η | 0.0010921 | Pa×s | 432.23 | Joback Calculated Property |
| η | 0.0006710 | Pa×s | 471.83 | Joback Calculated Property |
| η | 0.0004446 | Pa×s | 511.43 | Joback Calculated Property |
| η | 0.0003125 | Pa×s | 551.02 | Joback Calculated Property |
| η | 0.0002303 | Pa×s | 590.62 | Joback Calculated Property |
| η | 0.0001764 | Pa×s | 630.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, tribromo, 1,2-dimethylpropyl ester.
Sources
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