- InChI
- InChI=1S/C23H33BrO4/c1-2-3-4-5-6-7-8-9-10-11-19-27-22(25)13-12-14-23(26)28-21-17-15-20(24)16-18-21/h10-11,15-18H,2-9,12-14,19H2,1H3/b11-10+
- InChI Key
- XDBDHUVFSBDYIO-ZHACJKMWSA-N
- Formula
- C23H33BrO4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1
ccc(Br)cc1 - Molecular Weight1
- 453.41
- 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° | -127.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.44 | kJ/mol | Joback Calculated Property |
| log10WS | -7.94 | Crippen Calculated Property | |
| logPoct/wat | 6.765 | Crippen Calculated Property | |
| McVol | 339.250 | ml/mol | McGowan Calculated Property |
| Pc | 1191.52 | kPa | Joback Calculated Property |
| Inp | [3117.00; 3117.00] |
|
|
| Inp | 3117.00 | NIST | |
| Inp | 3117.00 | NIST | |
| Tboil | 980.20 | K | Joback Calculated Property |
| Tc | 1201.50 | K | Joback Calculated Property |
| Tfus | 586.95 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1069.74; 1142.98] | J/mol×K | [980.20; 1201.50] |
|
| Cp,gas | 1069.74 | J/mol×K | 980.20 | Joback Calculated Property |
| Cp,gas | 1084.63 | J/mol×K | 1017.08 | Joback Calculated Property |
| Cp,gas | 1098.35 | J/mol×K | 1053.97 | Joback Calculated Property |
| Cp,gas | 1110.99 | J/mol×K | 1090.85 | Joback Calculated Property |
| Cp,gas | 1122.59 | J/mol×K | 1127.73 | Joback Calculated Property |
| Cp,gas | 1133.24 | J/mol×K | 1164.62 | Joback Calculated Property |
| Cp,gas | 1142.98 | J/mol×K | 1201.50 | Joback Calculated Property |
| η | [0.0000238; 0.0002529] | Pa×s | [586.95; 980.20] |
|
| η | 0.0002529 | Pa×s | 586.95 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 652.49 | Joback Calculated Property |
| η | 0.0000863 | Pa×s | 718.03 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 783.58 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 849.12 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 914.66 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 980.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 4-bromophenyl ester.
Sources
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