- InChI
- InChI=1S/C7H12Br2O2/c1-2-3-4-11-7(10)6(9)5-8/h6H,2-5H2,1H3
- InChI Key
- PTODVLUSMZDXKT-UHFFFAOYSA-N
- Formula
- C7H12Br2O2
- SMILES
- CCCCOC(=O)C(Br)CBr
- Molecular Weight1
- 287.98
- CAS
- 21179-48-6
- 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° | -199.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -385.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 151.930 | ml/mol | McGowan Calculated Property |
| Pc | 3468.36 | kPa | Joback Calculated Property |
| Inp | 1327.00 | NIST | |
| Tboil | 567.73 | K | Joback Calculated Property |
| Tc | 777.95 | K | Joback Calculated Property |
| Tfus | 345.41 | K | Joback Calculated Property |
| Vc | 0.570 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [312.32; 367.31] | J/mol×K | [567.73; 777.95] | 
|
| Cp,gas | 312.32 | J/mol×K | 567.73 | Joback Calculated Property |
| Cp,gas | 322.87 | J/mol×K | 602.77 | Joback Calculated Property |
| Cp,gas | 332.84 | J/mol×K | 637.80 | Joback Calculated Property |
| Cp,gas | 342.24 | J/mol×K | 672.84 | Joback Calculated Property |
| Cp,gas | 351.11 | J/mol×K | 707.87 | Joback Calculated Property |
| Cp,gas | 359.46 | J/mol×K | 742.91 | Joback Calculated Property |
| Cp,gas | 367.31 | J/mol×K | 777.95 | Joback Calculated Property |
| η | [0.0002605; 0.0023638] | Pa×s | [345.41; 567.73] |
|
| η | 0.0023638 | Pa×s | 345.41 | Joback Calculated Property |
| η | 0.0013698 | Pa×s | 382.46 | Joback Calculated Property |
| η | 0.0008741 | Pa×s | 419.52 | Joback Calculated Property |
| η | 0.0006000 | Pa×s | 456.57 | Joback Calculated Property |
| η | 0.0004358 | Pa×s | 493.62 | Joback Calculated Property |
| η | 0.0003309 | Pa×s | 530.68 | Joback Calculated Property |
| η | 0.0002605 | Pa×s | 567.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,3-dibromo-, butyl ester.
Sources
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