- InChI
- InChI=1S/C17H23BrO4/c1-3-4-5-6-13(2)21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
- InChI Key
- OUGZIGJXOYGECT-UHFFFAOYSA-N
- Formula
- C17H23BrO4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)Oc1ccc(B
r)cc1 - Molecular Weight1
- 371.27
- 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).
- IE : Ionization energy (eV).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -771.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.647 | Crippen Calculated Property | |
| McVol | 259.010 | ml/mol | McGowan Calculated Property |
| Inp | [2373.00; 2373.00] |
|
|
| Inp | 2373.00 | NIST | |
| Inp | 2373.00 | NIST | |
| Tboil | 632.53 | K | Relay (1.0) Calculated Property |
| Tfus | 304.62 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.65; 803.44] | J/mol×K | [802.38; 1011.56] |
|
| Cp,gas | 734.65 | J/mol×K | 802.38 | Joback Calculated Property |
| Cp,gas | 748.88 | J/mol×K | 837.24 | Joback Calculated Property |
| Cp,gas | 761.97 | J/mol×K | 872.11 | Joback Calculated Property |
| Cp,gas | 773.95 | J/mol×K | 906.97 | Joback Calculated Property |
| Cp,gas | 784.83 | J/mol×K | 941.83 | Joback Calculated Property |
| Cp,gas | 794.65 | J/mol×K | 976.69 | Joback Calculated Property |
| Cp,gas | 803.44 | J/mol×K | 1011.56 | Joback Calculated Property |
| η | [0.0000477; 0.0008902] | Pa×s | [449.75; 802.38] |
|
| η | 0.0008902 | Pa×s | 449.75 | Joback Calculated Property |
| η | 0.0004123 | Pa×s | 508.52 | Joback Calculated Property |
| η | 0.0002240 | Pa×s | 567.29 | Joback Calculated Property |
| η | 0.0001364 | Pa×s | 626.06 | Joback Calculated Property |
| η | 0.0000905 | Pa×s | 684.84 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 743.61 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 802.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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