- InChI
- InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-12-18-27-22(25)16-13-17-23(26)28-19-20-14-10-11-15-21(20)24/h10-11,14-15H,2-9,12-13,16-19H2,1H3
- InChI Key
- ZXIFUBUHYMFNOM-UHFFFAOYSA-N
- Formula
- C23H35BrO4
- SMILES
-
CCCCCCCCCCCOC(=O)CCCC(=O)OCc1c
cccc1Br - 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° | -207.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.48 | kJ/mol | Joback Calculated Property |
| log10WS | -7.94 | Crippen Calculated Property | |
| logPoct/wat | 6.737 | Crippen Calculated Property | |
| McVol | 343.550 | ml/mol | McGowan Calculated Property |
| Pc | 1149.87 | kPa | Joback Calculated Property |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Tboil | 976.04 | K | Joback Calculated Property |
| Tc | 1195.50 | K | Joback Calculated Property |
| Tfus | 592.03 | K | Joback Calculated Property |
| Vc | 1.325 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1098.41; 1170.51] | J/mol×K | [976.04; 1195.50] |
|
| Cp,gas | 1098.41 | J/mol×K | 976.04 | Joback Calculated Property |
| Cp,gas | 1113.53 | J/mol×K | 1012.62 | Joback Calculated Property |
| Cp,gas | 1127.34 | J/mol×K | 1049.19 | Joback Calculated Property |
| Cp,gas | 1139.90 | J/mol×K | 1085.77 | Joback Calculated Property |
| Cp,gas | 1151.24 | J/mol×K | 1122.35 | Joback Calculated Property |
| Cp,gas | 1161.43 | J/mol×K | 1158.93 | Joback Calculated Property |
| Cp,gas | 1170.51 | J/mol×K | 1195.50 | Joback Calculated Property |
| η | [0.0000271; 0.0002740] | Pa×s | [592.03; 976.04] |
|
| η | 0.0002740 | Pa×s | 592.03 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 656.03 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 720.03 | Joback Calculated Property |
| η | 0.0000650 | Pa×s | 784.03 | Joback Calculated Property |
| η | 0.0000465 | Pa×s | 848.04 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 912.04 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 976.04 | Joback Calculated Property |
Similar Compounds
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Sources
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