- InChI
- InChI=1S/C9H16Br2O2/c1-2-3-4-5-6-13-9(12)8(11)7-10/h8H,2-7H2,1H3
- InChI Key
- GGMSKCDVFZFTEQ-UHFFFAOYSA-N
- Formula
- C9H16Br2O2
- SMILES
- CCCCCCOC(=O)C(Br)CBr
- Molecular Weight1
- 316.03
- 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° | -182.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -426.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.27 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 180.110 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Inp | 1521.00 | NIST | |
| Tboil | 613.49 | K | Joback Calculated Property |
| Tc | 817.27 | K | Joback Calculated Property |
| Tfus | 367.95 | K | Joback Calculated Property |
| Vc | 0.681 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.27; 469.33] | J/mol×K | [613.49; 817.27] | 
|
| Cp,gas | 405.27 | J/mol×K | 613.49 | Joback Calculated Property |
| Cp,gas | 417.53 | J/mol×K | 647.45 | Joback Calculated Property |
| Cp,gas | 429.13 | J/mol×K | 681.42 | Joback Calculated Property |
| Cp,gas | 440.08 | J/mol×K | 715.38 | Joback Calculated Property |
| Cp,gas | 450.42 | J/mol×K | 749.35 | Joback Calculated Property |
| Cp,gas | 460.16 | J/mol×K | 783.31 | Joback Calculated Property |
| Cp,gas | 469.33 | J/mol×K | 817.27 | Joback Calculated Property |
| η | [0.0002022; 0.0020587] | Pa×s | [367.95; 613.49] |
|
| η | 0.0020587 | Pa×s | 367.95 | Joback Calculated Property |
| η | 0.0011522 | Pa×s | 408.87 | Joback Calculated Property |
| η | 0.0007167 | Pa×s | 449.80 | Joback Calculated Property |
| η | 0.0004826 | Pa×s | 490.72 | Joback Calculated Property |
| η | 0.0003453 | Pa×s | 531.64 | Joback Calculated Property |
| η | 0.0002592 | Pa×s | 572.57 | Joback Calculated Property |
| η | 0.0002022 | Pa×s | 613.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2,3-dibromo, hexyl ester.
Sources
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