- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.71; 715.58] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.14160e+01 | |||
| Coefficient B | 1.14786e+00 | |||
| Coefficient C | -5.21000e-04 | |||
| Coefficient D | 3.73000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 326.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 393.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 454.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 509.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 558.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 601.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 638.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 669.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 695.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 715.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049275; 0.0001371] | Pa×s | [320.85; 582.07] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.32946e+01 | |||
| Coefficient B | 2.56092e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 320.85 | |||
| Temperature range, max. | 582.07 | |||
| η | 0.0049275 | Pa×s | 320.85 | Calculated Property |
| η | 0.0025414 | Pa×s | 349.87 | Calculated Property |
| η | 0.0014506 | Pa×s | 378.90 | Calculated Property |
| η | 0.0008968 | Pa×s | 407.92 | Calculated Property |
| η | 0.0005910 | Pa×s | 436.95 | Calculated Property |
| η | 0.0004102 | Pa×s | 465.97 | Calculated Property |
| η | 0.0002972 | Pa×s | 495.00 | Calculated Property |
| η | 0.0002232 | Pa×s | 524.02 | Calculated Property |
| η | 0.0001727 | Pa×s | 553.05 | Calculated Property |
| η | 0.0001371 | Pa×s | 582.07 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2-chloropropyl isohexyl ester.
Sources
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