- InChI
- InChI=1S/C23H33BrO5/c1-3-4-5-6-7-8-9-10-11-12-17-28-22(25)15-16-23(26)29-20-14-13-19(24)18-21(20)27-2/h11-14,18H,3-10,15-17H2,1-2H3/b12-11+
- InChI Key
- XGGYOPFFKQJDQZ-VAWYXSNFSA-N
- Formula
- C23H33BrO5
- SMILES
-
CCCCCCCCC/C=C/COC(=O)CCC(=O)Oc
1ccc(Br)cc1OC - Molecular Weight1
- 469.42
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 64.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.89 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.383 | Crippen Calculated Property | |
| McVol | 345.120 | ml/mol | McGowan Calculated Property |
| Inp | [3192.00; 3192.00] |
|
|
| Inp | 3192.00 | NIST | |
| Inp | 3192.00 | NIST | |
| Tboil | 685.05 | K | Relay (1.0) Calculated Property |
| Tc | 899.86 | K | Relay (1.0) Calculated Property |
| Tfus | 317.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.31; 1094.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 4.70010e+01 | |||
| Coefficient B | 1.87634e+00 | |||
| Coefficient C | -9.79520e-04 | |||
| Coefficient D | 1.50700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 489.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 594.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 689.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 774.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 849.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 915.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 971.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1020.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1061.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1094.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001962; 0.0000248] | Pa×s | [562.04; 833.44] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.48875e+01 | |||
| Coefficient B | 3.56957e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 562.04 | |||
| Temperature range, max. | 833.44 | |||
| η | 0.0001962 | Pa×s | 562.04 | Calculated Property |
| η | 0.0001420 | Pa×s | 592.20 | Calculated Property |
| η | 0.0001060 | Pa×s | 622.35 | Calculated Property |
| η | 0.0000813 | Pa×s | 652.51 | Calculated Property |
| η | 0.0000639 | Pa×s | 682.66 | Calculated Property |
| η | 0.0000512 | Pa×s | 712.82 | Calculated Property |
| η | 0.0000418 | Pa×s | 742.97 | Calculated Property |
| η | 0.0000346 | Pa×s | 773.13 | Calculated Property |
| η | 0.0000291 | Pa×s | 803.29 | Calculated Property |
| η | 0.0000248 | Pa×s | 833.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dodec-2-en-1-yl 4-bromo-2-methoxyphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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