- InChI
- InChI=1S/C16H21ClO4/c17-12-6-1-2-7-13-20-15(18)10-11-16(19)21-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
- InChI Key
- SHAHIVFCWMQQOK-UHFFFAOYSA-N
- Formula
- C16H21ClO4
- SMILES
- O=C(CCC(=O)Oc1ccccc1)OCCCCCCCl
- Molecular Weight1
- 312.79
- 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 | -759.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.715 | Crippen Calculated Property | |
| McVol | 239.660 | ml/mol | McGowan Calculated Property |
| Inp | 2435.00 | NIST | |
| Tboil | 616.37 | K | Relay (1.0) Calculated Property |
| Tfus | 301.41 | 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 | [666.20; 737.73] | J/mol×K | [746.23; 946.82] | 
|
| Cp,gas | 666.20 | J/mol×K | 746.23 | Joback Calculated Property |
| Cp,gas | 680.71 | J/mol×K | 779.66 | Joback Calculated Property |
| Cp,gas | 694.15 | J/mol×K | 813.09 | Joback Calculated Property |
| Cp,gas | 706.56 | J/mol×K | 846.52 | Joback Calculated Property |
| Cp,gas | 717.94 | J/mol×K | 879.96 | Joback Calculated Property |
| Cp,gas | 728.32 | J/mol×K | 913.39 | Joback Calculated Property |
| Cp,gas | 737.73 | J/mol×K | 946.82 | Joback Calculated Property |
| η | [0.0000652; 0.0013903] | Pa×s | [411.08; 746.23] |
|
| η | 0.0013903 | Pa×s | 411.08 | Joback Calculated Property |
| η | 0.0006153 | Pa×s | 466.94 | Joback Calculated Property |
| η | 0.0003241 | Pa×s | 522.80 | Joback Calculated Property |
| η | 0.0001932 | Pa×s | 578.65 | Joback Calculated Property |
| η | 0.0001262 | Pa×s | 634.51 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 690.37 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 746.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, phenyl 6-chlorohexyl 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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