- InChI
- InChI=1S/C10H9Br5O/c1-4(2)16-3-5-6(11)8(13)10(15)9(14)7(5)12/h4H,3H2,1-2H3
- InChI Key
- NNSBCOLNALHIIO-UHFFFAOYSA-N
- Formula
- C10H9Br5O
- SMILES
-
CC(C)OCc1c(Br)c(Br)c(Br)c(Br)c
1Br - Molecular Weight1
- 544.70
- 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° | 61.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.64 | kJ/mol | Joback Calculated Property |
| log10WS | -8.62 | Crippen Calculated Property | |
| logPoct/wat | 6.424 | Crippen Calculated Property | |
| McVol | 221.370 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| Inp | 2559.00 | NIST | |
| Tboil | 832.56 | K | Joback Calculated Property |
| Tc | 1103.67 | K | Joback Calculated Property |
| Tfus | 597.71 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [437.19; 480.83] | J/mol×K | [832.56; 1103.67] | 
|
| Cp,gas | 437.19 | J/mol×K | 832.56 | Joback Calculated Property |
| Cp,gas | 445.65 | J/mol×K | 877.74 | Joback Calculated Property |
| Cp,gas | 453.55 | J/mol×K | 922.93 | Joback Calculated Property |
| Cp,gas | 460.94 | J/mol×K | 968.11 | Joback Calculated Property |
| Cp,gas | 467.91 | J/mol×K | 1013.30 | Joback Calculated Property |
| Cp,gas | 474.52 | J/mol×K | 1058.48 | Joback Calculated Property |
| Cp,gas | 480.83 | J/mol×K | 1103.67 | Joback Calculated Property |
| η | [0.0000899; 0.0003084] | Pa×s | [597.71; 832.56] |
|
| η | 0.0003084 | Pa×s | 597.71 | Joback Calculated Property |
| η | 0.0002357 | Pa×s | 636.85 | Joback Calculated Property |
| η | 0.0001859 | Pa×s | 675.99 | Joback Calculated Property |
| η | 0.0001504 | Pa×s | 715.13 | Joback Calculated Property |
| η | 0.0001245 | Pa×s | 754.28 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 793.42 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 832.56 | Joback Calculated Property |
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Sources
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