- InChI
- InChI=1S/C30H49BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-28(32)30(5-2,6-3)29(33)35-25-26-21-20-22-27(31)24-26/h20-22,24H,4-19,23,25H2,1-3H3
- InChI Key
- KDDGSKYBRPPJCK-UHFFFAOYSA-N
- Formula
- C30H49BrO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC
)C(=O)OCc1cccc(Br)c1 - Molecular Weight1
- 553.61
- 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° | -146.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -909.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.76 | kJ/mol | Joback Calculated Property |
| log10WS | -10.62 | Crippen Calculated Property | |
| logPoct/wat | 9.323 | Crippen Calculated Property | |
| McVol | 442.180 | ml/mol | McGowan Calculated Property |
| Pc | 770.75 | kPa | Joback Calculated Property |
| Inp | [3293.00; 3293.00] |
|
|
| Inp | 3293.00 | NIST | |
| Inp | 3293.00 | NIST | |
| Tboil | 1132.97 | K | Joback Calculated Property |
| Tc | 1401.28 | K | Joback Calculated Property |
| Tfus | 673.34 | K | Joback Calculated Property |
| Vc | 1.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1535.86; 1622.61] | J/mol×K | [1132.97; 1401.28] |
|
| Cp,gas | 1535.86 | J/mol×K | 1132.97 | Joback Calculated Property |
| Cp,gas | 1553.82 | J/mol×K | 1177.69 | Joback Calculated Property |
| Cp,gas | 1570.15 | J/mol×K | 1222.41 | Joback Calculated Property |
| Cp,gas | 1585.02 | J/mol×K | 1267.12 | Joback Calculated Property |
| Cp,gas | 1598.61 | J/mol×K | 1311.84 | Joback Calculated Property |
| Cp,gas | 1611.08 | J/mol×K | 1356.56 | Joback Calculated Property |
| Cp,gas | 1622.61 | J/mol×K | 1401.28 | Joback Calculated Property |
| η | [0.0000065; 0.0000907] | Pa×s | [673.34; 1132.97] |
|
| η | 0.0000907 | Pa×s | 673.34 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 749.94 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 826.55 | Joback Calculated Property |
| η | 0.0000173 | Pa×s | 903.15 | Joback Calculated Property |
| η | 0.0000119 | Pa×s | 979.76 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 1056.36 | Joback Calculated Property |
| η | 0.0000065 | Pa×s | 1132.97 | Joback Calculated Property |
Similar Compounds
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Sources
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