- InChI
- InChI=1S/C25H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-20-29-24(27)18-15-19-25(28)30-21-22-16-12-13-17-23(22)26/h12-13,16-17H,2-11,14-15,18-21H2,1H3
- InChI Key
- QMUUERLXKJOKAL-UHFFFAOYSA-N
- Formula
- C25H39BrO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OCc
1ccccc1Br - Molecular Weight1
- 483.48
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1696 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -915.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.517 | Crippen Calculated Property | |
| McVol | 371.730 | ml/mol | McGowan Calculated Property |
| Pc | 1013.59 | kPa | Joback Calculated Property |
| Inp | [3294.00; 3294.00] |
|
|
| Inp | 3294.00 | NIST | |
| Inp | 3294.00 | NIST | |
| Tboil | 701.78 | K | Relay (1.0) Calculated Property |
| Tc | 889.33 | K | Relay (1.0) Calculated Property |
| Tfus | 312.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1221.24; 1294.58] | J/mol×K | [1021.80; 1251.48] |
|
| Cp,gas | 1221.24 | J/mol×K | 1021.80 | Joback Calculated Property |
| Cp,gas | 1236.89 | J/mol×K | 1060.08 | Joback Calculated Property |
| Cp,gas | 1251.09 | J/mol×K | 1098.36 | Joback Calculated Property |
| Cp,gas | 1263.89 | J/mol×K | 1136.64 | Joback Calculated Property |
| Cp,gas | 1275.36 | J/mol×K | 1174.92 | Joback Calculated Property |
| Cp,gas | 1285.57 | J/mol×K | 1213.20 | Joback Calculated Property |
| Cp,gas | 1294.58 | J/mol×K | 1251.48 | Joback Calculated Property |
| η | [0.0000198; 0.0002140] | Pa×s | [614.57; 1021.80] |
|
| η | 0.0002140 | Pa×s | 614.57 | Joback Calculated Property |
| η | 0.0001182 | Pa×s | 682.44 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 750.31 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 818.18 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 886.06 | Joback Calculated Property |
| η | 0.0000256 | Pa×s | 953.93 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 1021.80 | Joback Calculated Property |
Similar Compounds
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Sources
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