- InChI
- InChI=1S/C18H25ClO4/c1-3-4-5-6-9-14(2)22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19/h7-8,10-11,14H,3-6,9,12-13H2,1-2H3
- InChI Key
- GCWMZTSXXYRRGI-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
CCCCCCC(C)OC(=O)CCC(=O)Oc1cccc
c1Cl - Molecular Weight1
- 340.84
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -830.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.928 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Inp | [2275.00; 2275.00] |
|
|
| Inp | 2275.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Tboil | 606.31 | 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, 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 | [777.77; 850.97] | J/mol×K | [796.53; 998.28] |
|
| Cp,gas | 777.77 | J/mol×K | 796.53 | Joback Calculated Property |
| Cp,gas | 792.78 | J/mol×K | 830.16 | Joback Calculated Property |
| Cp,gas | 806.63 | J/mol×K | 863.78 | Joback Calculated Property |
| Cp,gas | 819.36 | J/mol×K | 897.41 | Joback Calculated Property |
| Cp,gas | 830.98 | J/mol×K | 931.03 | Joback Calculated Property |
| Cp,gas | 841.51 | J/mol×K | 964.66 | Joback Calculated Property |
| Cp,gas | 850.97 | J/mol×K | 998.28 | Joback Calculated Property |
| η | [0.0000450; 0.0010682] | Pa×s | [431.14; 796.53] |
|
| η | 0.0010682 | Pa×s | 431.14 | Joback Calculated Property |
| η | 0.0004546 | Pa×s | 492.04 | Joback Calculated Property |
| η | 0.0002335 | Pa×s | 552.94 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 613.84 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 674.73 | Joback Calculated Property |
| η | 0.0000613 | Pa×s | 735.63 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 796.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chlorophenyl 2-octyl 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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