- InChI
- InChI=1S/C20H30O4/c1-4-6-8-11-16(3)23-19(21)14-15-20(22)24-18(5-2)17-12-9-7-10-13-17/h7,9-10,12-13,16,18H,4-6,8,11,14-15H2,1-3H3
- InChI Key
- HTUAAXCQVXZTDP-UHFFFAOYSA-N
- Formula
- C20H30O4
- SMILES
-
CCCCCC(C)OC(=O)CCC(=O)OC(CC)c1
ccccc1 - Molecular Weight1
- 334.45
- 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 | -854.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.973 | Crippen Calculated Property | |
| McVol | 283.780 | ml/mol | McGowan Calculated Property |
| Inp | [2193.00; 2193.00] |
|
|
| Inp | 2193.00 | NIST | |
| Inp | 2193.00 | NIST | |
| Tboil | 607.40 | K | Relay (1.0) Calculated Property |
| Tfus | 280.08 | 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 | [865.82; 949.10] | J/mol×K | [799.44; 997.39] |
|
| Cp,gas | 865.82 | J/mol×K | 799.44 | Joback Calculated Property |
| Cp,gas | 882.70 | J/mol×K | 832.43 | Joback Calculated Property |
| Cp,gas | 898.35 | J/mol×K | 865.42 | Joback Calculated Property |
| Cp,gas | 912.78 | J/mol×K | 898.42 | Joback Calculated Property |
| Cp,gas | 926.03 | J/mol×K | 931.41 | Joback Calculated Property |
| Cp,gas | 938.12 | J/mol×K | 964.40 | Joback Calculated Property |
| Cp,gas | 949.10 | J/mol×K | 997.39 | Joback Calculated Property |
| η | [0.0000357; 0.0018053] | Pa×s | [396.24; 799.44] |
|
| η | 0.0018053 | Pa×s | 396.24 | Joback Calculated Property |
| η | 0.0005844 | Pa×s | 463.44 | Joback Calculated Property |
| η | 0.0002517 | Pa×s | 530.64 | Joback Calculated Property |
| η | 0.0001310 | Pa×s | 597.84 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 665.04 | Joback Calculated Property |
| η | 0.0000509 | Pa×s | 732.24 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 799.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hept-2-yl 1-phenylpropyl 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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