- InChI
- InChI=1S/C21H31ClO4/c1-2-19(18-12-8-7-9-13-18)26-21(24)15-14-20(23)25-17-11-6-4-3-5-10-16-22/h7-9,12-13,19H,2-6,10-11,14-17H2,1H3
- InChI Key
- CWBQLMJCHKSCJE-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCC(OC(=O)CCC(=O)OCCCCCCCCCl)c
1ccccc1 - Molecular Weight1
- 382.92
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -886.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.47 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.584 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Inp | [2707.00; 2707.00] |
|
|
| Inp | 2707.00 | NIST | |
| Inp | 2707.00 | NIST | |
| Tfus | 299.50 | 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, 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 | [952.71; 1027.76] | J/mol×K | [860.19; 1061.88] |
|
| Cp,gas | 952.71 | J/mol×K | 860.19 | Joback Calculated Property |
| Cp,gas | 968.26 | J/mol×K | 893.80 | Joback Calculated Property |
| Cp,gas | 982.54 | J/mol×K | 927.42 | Joback Calculated Property |
| Cp,gas | 995.60 | J/mol×K | 961.03 | Joback Calculated Property |
| Cp,gas | 1007.46 | J/mol×K | 994.65 | Joback Calculated Property |
| Cp,gas | 1018.17 | J/mol×K | 1028.26 | Joback Calculated Property |
| Cp,gas | 1027.76 | J/mol×K | 1061.88 | Joback Calculated Property |
| η | [0.0000283; 0.0009087] | Pa×s | [452.43; 860.19] |
|
| η | 0.0009087 | Pa×s | 452.43 | Joback Calculated Property |
| η | 0.0003495 | Pa×s | 520.39 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 588.35 | Joback Calculated Property |
| η | 0.0000936 | Pa×s | 656.31 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 724.27 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 792.23 | Joback Calculated Property |
| η | 0.0000283 | Pa×s | 860.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 8-chlorooctyl 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
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