- InChI
- InChI=1S/C20H29BrO5/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)26-16-15-25-18-13-11-17(21)12-14-18/h11-14H,2-10,15-16H2,1H3
- InChI Key
- STOVXNLCODTLNQ-UHFFFAOYSA-N
- Formula
- C20H29BrO5
- SMILES
-
CCOC(=O)CCCCCCCCC(=O)OCCOc1ccc
(Br)cc1 - Molecular Weight1
- 429.35
- 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 | 1.0522 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -951.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.055 | Crippen Calculated Property | |
| McVol | 307.150 | ml/mol | McGowan Calculated Property |
| Pc | 1394.37 | kPa | Joback Calculated Property |
| Inp | [2903.00; 2903.00] |
|
|
| Inp | 2903.00 | NIST | |
| Inp | 2903.00 | NIST | |
| Tboil | 682.36 | K | Relay (1.0) Calculated Property |
| Tc | 865.31 | K | Relay (1.0) Calculated Property |
| Tfus | 324.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.135 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.13; 1010.51] | J/mol×K | [929.82; 1143.30] |
|
| Cp,gas | 946.13 | J/mol×K | 929.82 | Joback Calculated Property |
| Cp,gas | 959.96 | J/mol×K | 965.40 | Joback Calculated Property |
| Cp,gas | 972.52 | J/mol×K | 1000.98 | Joback Calculated Property |
| Cp,gas | 983.83 | J/mol×K | 1036.56 | Joback Calculated Property |
| Cp,gas | 993.92 | J/mol×K | 1072.14 | Joback Calculated Property |
| Cp,gas | 1002.81 | J/mol×K | 1107.72 | Joback Calculated Property |
| Cp,gas | 1010.51 | J/mol×K | 1143.30 | Joback Calculated Property |
| η | [0.0000317; 0.0002721] | Pa×s | [580.45; 929.82] |
|
| η | 0.0002721 | Pa×s | 580.45 | Joback Calculated Property |
| η | 0.0001615 | Pa×s | 638.68 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 696.91 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 755.13 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 813.36 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 871.59 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 929.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-(4-bromophenoxy)ethyl ethyl ester.
Sources
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