- InChI
- InChI=1S/C20H22O4/c21-19(11-12-20(22)24-18-7-3-4-8-18)23-14-15-9-10-16-5-1-2-6-17(16)13-15/h1-2,5-6,9-10,13,18H,3-4,7-8,11-12,14H2
- InChI Key
- MDTNOICUWQEEOM-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
O=C(CCC(=O)OC1CCCC1)OCc1ccc2cc
ccc2c1 - Molecular Weight1
- 326.39
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -604.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.149 | Crippen Calculated Property | |
| McVol | 253.460 | ml/mol | McGowan Calculated Property |
| Inp | [2876.00; 2876.00] |
|
|
| Inp | 2876.00 | NIST | |
| Inp | 2876.00 | NIST | |
| Tfus | 328.29 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [782.30; 855.68] | J/mol×K | [839.56; 1068.90] |
|
| Cp,gas | 782.30 | J/mol×K | 839.56 | Joback Calculated Property |
| Cp,gas | 797.83 | J/mol×K | 877.78 | Joback Calculated Property |
| Cp,gas | 811.94 | J/mol×K | 916.01 | Joback Calculated Property |
| Cp,gas | 824.70 | J/mol×K | 954.23 | Joback Calculated Property |
| Cp,gas | 836.19 | J/mol×K | 992.45 | Joback Calculated Property |
| Cp,gas | 846.49 | J/mol×K | 1030.68 | Joback Calculated Property |
| Cp,gas | 855.68 | J/mol×K | 1068.90 | Joback Calculated Property |
| η | [0.0001231; 0.0011863] | Pa×s | [482.36; 839.56] |
|
| η | 0.0011863 | Pa×s | 482.36 | Joback Calculated Property |
| η | 0.0006609 | Pa×s | 541.89 | Joback Calculated Property |
| η | 0.0004134 | Pa×s | 601.43 | Joback Calculated Property |
| η | 0.0002814 | Pa×s | 660.96 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 720.49 | Joback Calculated Property |
| η | 0.0001555 | Pa×s | 780.03 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 839.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, naphth-2-ylmethyl cyclopentyl 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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