- InChI
- InChI=1S/C21H34O4/c1-3-4-5-6-14(2)24-19(22)7-8-20(23)25-21-17-10-15-9-16(12-17)13-18(21)11-15/h14-18,21H,3-13H2,1-2H3
- InChI Key
- BYLKFEZAWZSJKZ-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC1C2CC3
CC(C2)CC1C3 - Molecular Weight1
- 350.49
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1046.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.41 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.647 | Crippen Calculated Property | |
| McVol | 289.050 | ml/mol | McGowan Calculated Property |
| Inp | [2554.00; 2554.00] |
|
|
| Inp | 2554.00 | NIST | |
| Inp | 2554.00 | NIST | |
| Tboil | 647.49 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.96; 1078.04] | J/mol×K | [811.23; 1010.19] |
|
| Cp,gas | 976.96 | J/mol×K | 811.23 | Joback Calculated Property |
| Cp,gas | 996.79 | J/mol×K | 844.39 | Joback Calculated Property |
| Cp,gas | 1015.32 | J/mol×K | 877.55 | Joback Calculated Property |
| Cp,gas | 1032.64 | J/mol×K | 910.71 | Joback Calculated Property |
| Cp,gas | 1048.82 | J/mol×K | 943.87 | Joback Calculated Property |
| Cp,gas | 1063.93 | J/mol×K | 977.03 | Joback Calculated Property |
| Cp,gas | 1078.04 | J/mol×K | 1010.19 | Joback Calculated Property |
| η | [0.0010258; 0.0039192] | Pa×s | [437.91; 811.23] |
|
| η | 0.0039192 | Pa×s | 437.91 | Joback Calculated Property |
| η | 0.0027278 | Pa×s | 500.13 | Joback Calculated Property |
| η | 0.0020572 | Pa×s | 562.35 | Joback Calculated Property |
| η | 0.0016411 | Pa×s | 624.57 | Joback Calculated Property |
| η | 0.0013639 | Pa×s | 686.79 | Joback Calculated Property |
| η | 0.0011689 | Pa×s | 749.01 | Joback Calculated Property |
| η | 0.0010258 | Pa×s | 811.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl adamant-2-yl 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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