- InChI
- InChI=1S/C20H29BrO4/c1-3-4-5-6-7-8-9-16(2)24-19(22)14-15-20(23)25-18-12-10-17(21)11-13-18/h10-13,16H,3-9,14-15H2,1-2H3
- InChI Key
- REXGAILWGCFELY-UHFFFAOYSA-N
- Formula
- C20H29BrO4
- SMILES
-
CCCCCCCCC(C)OC(=O)CCC(=O)Oc1cc
c(Br)cc1 - Molecular Weight1
- 413.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -834.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.55 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.817 | Crippen Calculated Property | |
| McVol | 301.280 | ml/mol | McGowan Calculated Property |
| Inp | [2690.00; 2690.00] |
|
|
| Inp | 2690.00 | NIST | |
| Inp | 2690.00 | NIST | |
| Tboil | 654.71 | K | Relay (1.0) Calculated Property |
| Tfus | 312.69 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [421.40; 955.41] | 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 | 2.24290e+01 | |||
| Coefficient B | 1.69994e+00 | |||
| Coefficient C | -9.13760e-04 | |||
| Coefficient D | 1.46800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 421.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 515.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 600.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 675.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 742.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 799.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 849.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 891.90 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 926.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 955.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006142; 0.0000537] | Pa×s | [483.56; 755.14] |
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 | -1.41737e+01 | |||
| Coefficient B | 3.27784e+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. | 483.56 | |||
| Temperature range, max. | 755.14 | |||
| η | 0.0006142 | Pa×s | 483.56 | Calculated Property |
| η | 0.0004125 | Pa×s | 513.74 | Calculated Property |
| η | 0.0002895 | Pa×s | 543.91 | Calculated Property |
| η | 0.0002109 | Pa×s | 574.09 | Calculated Property |
| η | 0.0001586 | Pa×s | 604.26 | Calculated Property |
| η | 0.0001225 | Pa×s | 634.44 | Calculated Property |
| η | 0.0000969 | Pa×s | 664.61 | Calculated Property |
| η | 0.0000782 | Pa×s | 694.79 | Calculated Property |
| η | 0.0000643 | Pa×s | 724.97 | Calculated Property |
| η | 0.0000537 | Pa×s | 755.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, dec-2-yl 4-bromophenyl 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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