- InChI
- InChI=1S/C15H17ClO4/c16-11-4-3-7-13(10-11)20-15(18)9-8-14(17)19-12-5-1-2-6-12/h3-4,7,10,12H,1-2,5-6,8-9H2
- InChI Key
- XWLBYZDZZKSFIW-UHFFFAOYSA-N
- Formula
- C15H17ClO4
- SMILES
-
O=C(CCC(=O)OC1CCCC1)Oc1cccc(Cl
)c1 - Molecular Weight1
- 296.75
- 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 | -717.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.511 | Crippen Calculated Property | |
| McVol | 214.710 | ml/mol | McGowan Calculated Property |
| Inp | [2246.00; 2246.00] |
|
|
| Inp | 2246.00 | NIST | |
| Inp | 2246.00 | NIST | |
| Tfus | 300.46 | 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 | [600.60; 673.21] | J/mol×K | [743.61; 970.20] |
|
| Cp,gas | 600.60 | J/mol×K | 743.61 | Joback Calculated Property |
| Cp,gas | 615.98 | J/mol×K | 781.37 | Joback Calculated Property |
| Cp,gas | 630.00 | J/mol×K | 819.14 | Joback Calculated Property |
| Cp,gas | 642.71 | J/mol×K | 856.90 | Joback Calculated Property |
| Cp,gas | 654.12 | J/mol×K | 894.67 | Joback Calculated Property |
| Cp,gas | 664.27 | J/mol×K | 932.43 | Joback Calculated Property |
| Cp,gas | 673.21 | J/mol×K | 970.20 | Joback Calculated Property |
| η | [0.0001087; 0.0014831] | Pa×s | [423.23; 743.61] |
|
| η | 0.0014831 | Pa×s | 423.23 | Joback Calculated Property |
| η | 0.0007518 | Pa×s | 476.63 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 530.02 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 583.42 | Joback Calculated Property |
| η | 0.0001940 | Pa×s | 636.82 | Joback Calculated Property |
| η | 0.0001420 | Pa×s | 690.21 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 743.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-chlorophenyl 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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