- InChI
- InChI=1S/C13H23ClO4/c1-10(2)5-4-8-17-12(15)6-7-13(16)18-9-11(3)14/h10-11H,4-9H2,1-3H3
- InChI Key
- WCTQPSDQUVPTMD-UHFFFAOYSA-N
- Formula
- C13H23ClO4
- SMILES
- CC(C)CCCOC(=O)CCC(=O)OCC(C)Cl
- Molecular Weight1
- 278.77
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -995.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.84 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.917 | Crippen Calculated Property | |
| McVol | 221.150 | ml/mol | McGowan Calculated Property |
| Pc | 1629.85 | kPa | Joback Calculated Property |
| Inp | [1799.00; 1799.00] |
|
|
| Inp | 1799.00 | NIST | |
| Inp | 1799.00 | NIST | |
| Tboil | 568.12 | K | Relay (1.0) Calculated Property |
| Tc | 740.26 | K | Relay (1.0) Calculated Property |
| Tfus | 269.53 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [587.66; 667.10] | J/mol×K | [650.03; 831.53] |
|
| Cp,gas | 587.66 | J/mol×K | 650.03 | Joback Calculated Property |
| Cp,gas | 602.92 | J/mol×K | 680.28 | Joback Calculated Property |
| Cp,gas | 617.36 | J/mol×K | 710.53 | Joback Calculated Property |
| Cp,gas | 630.99 | J/mol×K | 740.78 | Joback Calculated Property |
| Cp,gas | 643.82 | J/mol×K | 771.03 | Joback Calculated Property |
| Cp,gas | 655.86 | J/mol×K | 801.28 | Joback Calculated Property |
| Cp,gas | 667.10 | J/mol×K | 831.53 | Joback Calculated Property |
| η | [0.0000865; 0.0049275] | Pa×s | [320.85; 650.03] |
|
| η | 0.0049275 | Pa×s | 320.85 | Joback Calculated Property |
| η | 0.0015362 | Pa×s | 375.71 | Joback Calculated Property |
| η | 0.0006446 | Pa×s | 430.58 | Joback Calculated Property |
| η | 0.0003291 | Pa×s | 485.44 | Joback Calculated Property |
| η | 0.0001926 | Pa×s | 540.30 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 595.17 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 650.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloropropyl isohexyl ester.
Sources
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