- InChI
- InChI=1S/C19H34Br2O4/c20-14-7-3-1-5-9-16-24-18(22)12-11-13-19(23)25-17-10-6-2-4-8-15-21/h1-17H2
- InChI Key
- PTYYYNBYGLSVSU-UHFFFAOYSA-N
- Formula
- C19H34Br2O4
- SMILES
-
O=C(CCCC(=O)OCCCCCCCBr)OCCCCCC
CBr - Molecular Weight1
- 486.28
- 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° | -330.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.07 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 5.934 | Crippen Calculated Property | |
| McVol | 328.450 | ml/mol | McGowan Calculated Property |
| Pc | 1264.65 | kPa | Joback Calculated Property |
| Inp | [3053.00; 3053.00] |
|
|
| Inp | 3053.00 | NIST | |
| Inp | 3053.00 | NIST | |
| Tboil | 919.02 | K | Joback Calculated Property |
| Tc | 1126.00 | K | Joback Calculated Property |
| Tfus | 567.81 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.87; 1074.48] | J/mol×K | [919.02; 1126.00] |
|
| Cp,gas | 998.87 | J/mol×K | 919.02 | Joback Calculated Property |
| Cp,gas | 1014.01 | J/mol×K | 953.52 | Joback Calculated Property |
| Cp,gas | 1028.09 | J/mol×K | 988.01 | Joback Calculated Property |
| Cp,gas | 1041.14 | J/mol×K | 1022.51 | Joback Calculated Property |
| Cp,gas | 1053.19 | J/mol×K | 1057.01 | Joback Calculated Property |
| Cp,gas | 1064.30 | J/mol×K | 1091.50 | Joback Calculated Property |
| Cp,gas | 1074.48 | J/mol×K | 1126.00 | Joback Calculated Property |
| η | [0.0000357; 0.0003532] | Pa×s | [567.81; 919.02] |
|
| η | 0.0003532 | Pa×s | 567.81 | Joback Calculated Property |
| η | 0.0002017 | Pa×s | 626.35 | Joback Calculated Property |
| η | 0.0001267 | Pa×s | 684.88 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 743.41 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 801.95 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 860.49 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 919.02 | Joback Calculated Property |
Similar Compounds
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Sources
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