- InChI
- InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-31-26(29)20-17-21-27(30)32-23-24-18-14-15-19-25(24)28/h14-15,18-19H,2-13,16-17,20-23H2,1H3
- InChI Key
- SEVVYKVWGBURQR-UHFFFAOYSA-N
- Formula
- C27H43BrO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCC(=O)O
Cc1ccccc1Br - Molecular Weight1
- 511.53
- 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° | -174.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.38 | kJ/mol | Joback Calculated Property |
| log10WS | -9.61 | Crippen Calculated Property | |
| logPoct/wat | 8.297 | Crippen Calculated Property | |
| McVol | 399.910 | ml/mol | McGowan Calculated Property |
| Pc | 900.18 | kPa | Joback Calculated Property |
| Inp | [3505.00; 3505.00] |
|
|
| Inp | 3505.00 | NIST | |
| Inp | 3505.00 | NIST | |
| Tboil | 1067.56 | K | Joback Calculated Property |
| Tc | 1312.05 | K | Joback Calculated Property |
| Tfus | 637.11 | K | Joback Calculated Property |
| Vc | 1.550 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1345.75; 1420.49] | J/mol×K | [1067.56; 1312.05] |
|
| Cp,gas | 1345.75 | J/mol×K | 1067.56 | Joback Calculated Property |
| Cp,gas | 1362.06 | J/mol×K | 1108.31 | Joback Calculated Property |
| Cp,gas | 1376.71 | J/mol×K | 1149.06 | Joback Calculated Property |
| Cp,gas | 1389.79 | J/mol×K | 1189.80 | Joback Calculated Property |
| Cp,gas | 1401.38 | J/mol×K | 1230.55 | Joback Calculated Property |
| Cp,gas | 1411.59 | J/mol×K | 1271.30 | Joback Calculated Property |
| Cp,gas | 1420.49 | J/mol×K | 1312.05 | Joback Calculated Property |
| η | [0.0000144; 0.0001655] | Pa×s | [637.11; 1067.56] |
|
| η | 0.0001655 | Pa×s | 637.11 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 708.85 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 780.59 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 852.34 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 924.08 | Joback Calculated Property |
| η | 0.0000187 | Pa×s | 995.82 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 1067.56 | Joback Calculated Property |
Similar Compounds
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Sources
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