- InChI
- InChI=1S/C7H12Br2O2/c1-4(2)5(3)11-7(10)6(8)9/h4-6H,1-3H3
- InChI Key
- CEXIVSAQDYUXAN-UHFFFAOYSA-N
- Formula
- C7H12Br2O2
- SMILES
- CC(C)C(C)OC(=O)C(Br)Br
- Molecular Weight1
- 287.98
- 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.
- I : 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 | 0.5633 | Relay (1.0) Calculated Property | |
| ΔfG° | -204.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.690 | Crippen Calculated Property | |
| McVol | 151.930 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Inp | 1244.00 | NIST | |
| I | 1717.00 | NIST | |
| Tboil | 493.18 | K | Relay (1.0) Calculated Property |
| Tc | 681.81 | K | Relay (1.0) Calculated Property |
| Tfus | 292.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [313.16; 370.60] | J/mol×K | [566.85; 786.25] | 
|
| Cp,gas | 313.16 | J/mol×K | 566.85 | Joback Calculated Property |
| Cp,gas | 324.29 | J/mol×K | 603.42 | Joback Calculated Property |
| Cp,gas | 334.77 | J/mol×K | 639.98 | Joback Calculated Property |
| Cp,gas | 344.62 | J/mol×K | 676.55 | Joback Calculated Property |
| Cp,gas | 353.86 | J/mol×K | 713.12 | Joback Calculated Property |
| Cp,gas | 362.51 | J/mol×K | 749.68 | Joback Calculated Property |
| Cp,gas | 370.60 | J/mol×K | 786.25 | Joback Calculated Property |
| η | [0.0002289; 0.0039264] | Pa×s | [315.41; 566.85] |
|
| η | 0.0039264 | Pa×s | 315.41 | Joback Calculated Property |
| η | 0.0018521 | Pa×s | 357.32 | Joback Calculated Property |
| η | 0.0010229 | Pa×s | 399.22 | Joback Calculated Property |
| η | 0.0006324 | Pa×s | 441.13 | Joback Calculated Property |
| η | 0.0004250 | Pa×s | 483.04 | Joback Calculated Property |
| η | 0.0003043 | Pa×s | 524.94 | Joback Calculated Property |
| η | 0.0002289 | Pa×s | 566.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dibromo, 1,2-dimethylpropyl ester.
Sources
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