- InChI
- InChI=1S/C7H10Cl2O3/c1-5(8)4-12-7(11)3-2-6(9)10/h5H,2-4H2,1H3
- InChI Key
- CBFQBJGKZBRWKX-UHFFFAOYSA-N
- Formula
- C7H10Cl2O3
- SMILES
- CC(Cl)COC(=O)CCC(=O)Cl
- Molecular Weight1
- 213.06
- 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 | -675.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.61 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.703 | Crippen Calculated Property | |
| McVol | 142.980 | ml/mol | McGowan Calculated Property |
| Pc | 2805.41 | kPa | Joback Calculated Property |
| Inp | [1371.00; 1371.00] |
|
|
| Inp | 1371.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Tboil | 509.17 | K | Relay (1.0) Calculated Property |
| Tc | 692.96 | K | Relay (1.0) Calculated Property |
| Tfus | 276.73 | 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 | [197.74; 394.67] | 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 | 5.33930e+01 | |||
| Coefficient B | 6.05520e-01 | |||
| Coefficient C | -2.87700e-04 | |||
| Coefficient D | 2.34600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 197.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 292.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 317.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 338.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 357.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 372.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 394.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044353; 0.0003027] | Pa×s | [305.75; 521.15] |
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 | -1.19134e+01 | |||
| Coefficient B | 1.98593e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 305.75 | |||
| Temperature range, max. | 521.15 | |||
| η | 0.0044353 | Pa×s | 305.75 | Calculated Property |
| η | 0.0027679 | Pa×s | 329.68 | Calculated Property |
| η | 0.0018412 | Pa×s | 353.62 | Calculated Property |
| η | 0.0012897 | Pa×s | 377.55 | Calculated Property |
| η | 0.0009426 | Pa×s | 401.48 | Calculated Property |
| η | 0.0007136 | Pa×s | 425.41 | Calculated Property |
| η | 0.0005565 | Pa×s | 449.35 | Calculated Property |
| η | 0.0004450 | Pa×s | 473.28 | Calculated Property |
| η | 0.0003637 | Pa×s | 497.21 | Calculated Property |
| η | 0.0003027 | Pa×s | 521.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, monochloride, 2-chloropropyl ester.
Sources
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