- InChI
- InChI=1S/C15H23BrO2/c16-4-2-1-3-14(17)18-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,1-9H2
- InChI Key
- FVVKQQWMMIYVEM-UHFFFAOYSA-N
- Formula
- C15H23BrO2
- SMILES
- O=C(CCCCBr)OC1C2CC3CC(C2)CC1C3
- Molecular Weight1
- 315.25
- 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° | 10.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -399.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.87 | kJ/mol | Joback Calculated Property |
| log10WS | -4.22 | Crippen Calculated Property | |
| logPoct/wat | 3.919 | Crippen Calculated Property | |
| McVol | 214.570 | ml/mol | McGowan Calculated Property |
| Pc | 2077.43 | kPa | Joback Calculated Property |
| Inp | 2108.00 | NIST | |
| Tboil | 700.20 | K | Joback Calculated Property |
| Tc | 915.40 | K | Joback Calculated Property |
| Tfus | 432.59 | K | Joback Calculated Property |
| Vc | 0.823 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.06; 733.86] | J/mol×K | [700.20; 915.40] | 
|
| Cp,gas | 636.06 | J/mol×K | 700.20 | Joback Calculated Property |
| Cp,gas | 655.04 | J/mol×K | 736.07 | Joback Calculated Property |
| Cp,gas | 672.81 | J/mol×K | 771.93 | Joback Calculated Property |
| Cp,gas | 689.49 | J/mol×K | 807.80 | Joback Calculated Property |
| Cp,gas | 705.16 | J/mol×K | 843.67 | Joback Calculated Property |
| Cp,gas | 719.92 | J/mol×K | 879.53 | Joback Calculated Property |
| Cp,gas | 733.86 | J/mol×K | 915.40 | Joback Calculated Property |
| η | [0.0025458; 0.0041253] | Pa×s | [432.59; 700.20] |
|
| η | 0.0041253 | Pa×s | 432.59 | Joback Calculated Property |
| η | 0.0036660 | Pa×s | 477.19 | Joback Calculated Property |
| η | 0.0033242 | Pa×s | 521.79 | Joback Calculated Property |
| η | 0.0030611 | Pa×s | 566.39 | Joback Calculated Property |
| η | 0.0028529 | Pa×s | 611.00 | Joback Calculated Property |
| η | 0.0026846 | Pa×s | 655.60 | Joback Calculated Property |
| η | 0.0025458 | Pa×s | 700.20 | Joback Calculated Property |
Similar Compounds
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Sources
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