- InChI
- InChI=1S/C23H35BrO5/c1-2-3-10-17-28-22(25)11-8-6-4-5-7-9-12-23(26)29-19-18-27-21-15-13-20(24)14-16-21/h13-16H,2-12,17-19H2,1H3
- InChI Key
- FVNMCTQSPCTVAL-UHFFFAOYSA-N
- Formula
- C23H35BrO5
- SMILES
-
CCCCCOC(=O)CCCCCCCCC(=O)OCCOc1
ccc(Br)cc1 - Molecular Weight1
- 471.43
- 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° | -312.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.89 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 6.225 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1136.73 | kPa | Joback Calculated Property |
| Inp | [3199.00; 3199.00] |
|
|
| Inp | 3199.00 | NIST | |
| Inp | 3199.00 | NIST | |
| Tboil | 998.46 | K | Joback Calculated Property |
| Tc | 1222.41 | K | Joback Calculated Property |
| Tfus | 614.26 | K | Joback Calculated Property |
| Vc | 1.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1126.34; 1190.52] | J/mol×K | [998.46; 1222.41] |
|
| Cp,gas | 1126.34 | J/mol×K | 998.46 | Joback Calculated Property |
| Cp,gas | 1140.65 | J/mol×K | 1035.78 | Joback Calculated Property |
| Cp,gas | 1153.47 | J/mol×K | 1073.11 | Joback Calculated Property |
| Cp,gas | 1164.83 | J/mol×K | 1110.43 | Joback Calculated Property |
| Cp,gas | 1174.77 | J/mol×K | 1147.76 | Joback Calculated Property |
| Cp,gas | 1183.32 | J/mol×K | 1185.08 | Joback Calculated Property |
| Cp,gas | 1190.52 | J/mol×K | 1222.41 | Joback Calculated Property |
| η | [0.0000199; 0.0001901] | Pa×s | [614.26; 998.46] |
|
| η | 0.0001901 | Pa×s | 614.26 | Joback Calculated Property |
| η | 0.0001093 | Pa×s | 678.29 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 742.33 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 806.36 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 870.39 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 934.43 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 998.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-(4-bromophenoxy)ethyl pentyl ester.
Sources
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