- InChI
- InChI=1S/C24H37BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-28-23(26)16-17-24(27)29-20-21-14-13-15-22(25)19-21/h13-15,19H,2-12,16-18,20H2,1H3
- InChI Key
- AGTTYJMJQSKOAI-UHFFFAOYSA-N
- Formula
- C24H37BrO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCC(=O)OCc1
cccc(Br)c1 - Molecular Weight1
- 469.45
- 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° | -199.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.70 | kJ/mol | Joback Calculated Property |
| log10WS | -8.35 | Crippen Calculated Property | |
| logPoct/wat | 7.127 | Crippen Calculated Property | |
| McVol | 357.640 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | [3135.00; 3135.00] |
|
|
| Inp | 3135.00 | NIST | |
| Inp | 3135.00 | NIST | |
| Tboil | 998.92 | K | Joback Calculated Property |
| Tc | 1222.96 | K | Joback Calculated Property |
| Tfus | 603.30 | K | Joback Calculated Property |
| Vc | 1.381 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1159.59; 1232.30] | J/mol×K | [998.92; 1222.96] |
|
| Cp,gas | 1159.59 | J/mol×K | 998.92 | Joback Calculated Property |
| Cp,gas | 1174.96 | J/mol×K | 1036.26 | Joback Calculated Property |
| Cp,gas | 1188.96 | J/mol×K | 1073.60 | Joback Calculated Property |
| Cp,gas | 1201.64 | J/mol×K | 1110.94 | Joback Calculated Property |
| Cp,gas | 1213.05 | J/mol×K | 1148.28 | Joback Calculated Property |
| Cp,gas | 1223.25 | J/mol×K | 1185.62 | Joback Calculated Property |
| Cp,gas | 1232.30 | J/mol×K | 1222.96 | Joback Calculated Property |
| η | [0.0000232; 0.0002425] | Pa×s | [603.30; 998.92] |
|
| η | 0.0002425 | Pa×s | 603.30 | Joback Calculated Property |
| η | 0.0001353 | Pa×s | 669.24 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 735.17 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 801.11 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 867.05 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 932.98 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 998.92 | Joback Calculated Property |
Similar Compounds
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Sources
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