- InChI
- InChI=1S/C23H35BrO4/c1-4-7-8-9-10-11-12-16-27-21(25)23(5-2,6-3)22(26)28-18-19-14-13-15-20(24)17-19/h13-15,17H,4-12,16,18H2,1-3H3
- InChI Key
- SLMPIBBEDMOBRA-UHFFFAOYSA-N
- Formula
- C23H35BrO4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
Cc1cccc(Br)c1 - Molecular Weight1
- 455.43
- 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° | -205.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -765.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.18 | kJ/mol | Joback Calculated Property |
| log10WS | -7.69 | Crippen Calculated Property | |
| logPoct/wat | 6.593 | Crippen Calculated Property | |
| McVol | 343.550 | ml/mol | McGowan Calculated Property |
| Pc | 1164.84 | kPa | Joback Calculated Property |
| Inp | 2737.00 | NIST | |
| Tboil | 972.81 | K | Joback Calculated Property |
| Tc | 1193.48 | K | Joback Calculated Property |
| Tfus | 594.45 | K | Joback Calculated Property |
| Vc | 1.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1098.56; 1173.27] | J/mol×K | [972.81; 1193.48] | 
|
| Cp,gas | 1098.56 | J/mol×K | 972.81 | Joback Calculated Property |
| Cp,gas | 1113.78 | J/mol×K | 1009.59 | Joback Calculated Property |
| Cp,gas | 1127.79 | J/mol×K | 1046.37 | Joback Calculated Property |
| Cp,gas | 1140.68 | J/mol×K | 1083.15 | Joback Calculated Property |
| Cp,gas | 1152.50 | J/mol×K | 1119.93 | Joback Calculated Property |
| Cp,gas | 1163.34 | J/mol×K | 1156.71 | Joback Calculated Property |
| Cp,gas | 1173.27 | J/mol×K | 1193.48 | Joback Calculated Property |
| η | [0.0000206; 0.0002351] | Pa×s | [594.45; 972.81] |
|
| η | 0.0002351 | Pa×s | 594.45 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 657.51 | Joback Calculated Property |
| η | 0.0000786 | Pa×s | 720.57 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 783.63 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 846.69 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 909.75 | Joback Calculated Property |
| η | 0.0000206 | Pa×s | 972.81 | Joback Calculated Property |
Similar Compounds
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Sources
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