- InChI
- InChI=1S/C29H47BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-33-28(31)22-19-23-29(32)34-25-26-20-16-17-21-27(26)30/h16-17,20-21H,2-15,18-19,22-25H2,1H3
- InChI Key
- MVVOMXHSZMBANZ-UHFFFAOYSA-N
- Formula
- C29H47BrO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O
)OCc1ccccc1Br - Molecular Weight1
- 539.59
- 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° | -157.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -880.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.83 | kJ/mol | Joback Calculated Property |
| log10WS | -10.45 | Crippen Calculated Property | |
| logPoct/wat | 9.077 | Crippen Calculated Property | |
| McVol | 428.090 | ml/mol | McGowan Calculated Property |
| Pc | 804.79 | kPa | Joback Calculated Property |
| Inp | [3721.00; 3721.00] |
|
|
| Inp | 3721.00 | NIST | |
| Inp | 3721.00 | NIST | |
| Tboil | 1113.32 | K | Joback Calculated Property |
| Tc | 1377.89 | K | Joback Calculated Property |
| Tfus | 659.65 | K | Joback Calculated Property |
| Vc | 1.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1471.65; 1548.01] | J/mol×K | [1113.32; 1377.89] |
|
| Cp,gas | 1471.65 | J/mol×K | 1113.32 | Joback Calculated Property |
| Cp,gas | 1488.76 | J/mol×K | 1157.41 | Joback Calculated Property |
| Cp,gas | 1503.95 | J/mol×K | 1201.51 | Joback Calculated Property |
| Cp,gas | 1517.35 | J/mol×K | 1245.60 | Joback Calculated Property |
| Cp,gas | 1529.07 | J/mol×K | 1289.70 | Joback Calculated Property |
| Cp,gas | 1539.25 | J/mol×K | 1333.79 | Joback Calculated Property |
| Cp,gas | 1548.01 | J/mol×K | 1377.89 | Joback Calculated Property |
| η | [0.0000104; 0.0001268] | Pa×s | [659.65; 1113.32] |
|
| η | 0.0001268 | Pa×s | 659.65 | Joback Calculated Property |
| η | 0.0000675 | Pa×s | 735.26 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 810.87 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 886.48 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 962.10 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 1037.71 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 1113.32 | Joback Calculated Property |
Similar Compounds
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Sources
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