- InChI
- InChI=1S/C11H18Br2O2/c1-8(14)15-7-11-3-9(5-12)2-10(4-11)6-13/h9-11H,2-7H2,1H3
- InChI Key
- XIWIVBCWZGLHNO-UHFFFAOYSA-N
- Formula
- C11H18Br2O2
- SMILES
- CC(=O)OCC1CC(CBr)CC(CBr)C1
- Molecular Weight1
- 342.07
- 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° | -154.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -448.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.92 | kJ/mol | Joback Calculated Property |
| log10WS | -3.32 | Crippen Calculated Property | |
| logPoct/wat | 3.372 | Crippen Calculated Property | |
| McVol | 197.430 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | 1955.00 | NIST | |
| Tboil | 669.90 | K | Joback Calculated Property |
| Tc | 896.46 | K | Joback Calculated Property |
| Tfus | 404.39 | K | Joback Calculated Property |
| Vc | 0.731 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.24; 584.62] | J/mol×K | [669.90; 896.46] | 
|
| Cp,gas | 500.24 | J/mol×K | 669.90 | Joback Calculated Property |
| Cp,gas | 517.03 | J/mol×K | 707.66 | Joback Calculated Property |
| Cp,gas | 532.69 | J/mol×K | 745.42 | Joback Calculated Property |
| Cp,gas | 547.26 | J/mol×K | 783.18 | Joback Calculated Property |
| Cp,gas | 560.75 | J/mol×K | 820.94 | Joback Calculated Property |
| Cp,gas | 573.20 | J/mol×K | 858.70 | Joback Calculated Property |
| Cp,gas | 584.62 | J/mol×K | 896.46 | Joback Calculated Property |
| η | [0.0002534; 0.0016523] | Pa×s | [404.39; 669.90] |
|
| η | 0.0016523 | Pa×s | 404.39 | Joback Calculated Property |
| η | 0.0010362 | Pa×s | 448.64 | Joback Calculated Property |
| η | 0.0007067 | Pa×s | 492.89 | Joback Calculated Property |
| η | 0.0005133 | Pa×s | 537.14 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 581.40 | Joback Calculated Property |
| η | 0.0003101 | Pa×s | 625.65 | Joback Calculated Property |
| η | 0.0002534 | Pa×s | 669.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-bis-(Bromomethyl)-5-hydroxymethylcyclohexane, acetate.
Sources
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