- InChI
- InChI=1S/C10H17ClO3/c1-4-8(7(2)3)14-10(13)6-5-9(11)12/h7-8H,4-6H2,1-3H3
- InChI Key
- LPYUZXWODZHGIK-UHFFFAOYSA-N
- Formula
- C10H17ClO3
- SMILES
- CCC(OC(=O)CCC(=O)Cl)C(C)C
- Molecular Weight1
- 220.69
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -731.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.79 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.510 | Crippen Calculated Property | |
| McVol | 173.010 | ml/mol | McGowan Calculated Property |
| Inp | [1367.00; 1367.00] |
|
|
| Inp | 1367.00 | NIST | |
| Inp | 1367.00 | NIST | |
| Tboil | 507.44 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 | [247.66; 541.71] | 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 | 3.60930e+01 | |||
| Coefficient B | 8.89660e-01 | |||
| Coefficient C | -4.33700e-04 | |||
| Coefficient D | 4.96600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 298.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 344.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 386.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 422.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 454.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 506.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 526.00 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 541.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0062863; 0.0002389] | Pa×s | [294.64; 536.97] |
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 | -1.23152e+01 | |||
| Coefficient B | 2.13491e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 294.64 | |||
| Temperature range, max. | 536.97 | |||
| η | 0.0062863 | Pa×s | 294.64 | Calculated Property |
| η | 0.0034269 | Pa×s | 321.57 | Calculated Property |
| η | 0.0020518 | Pa×s | 348.49 | Calculated Property |
| η | 0.0013222 | Pa×s | 375.42 | Calculated Property |
| η | 0.0009037 | Pa×s | 402.34 | Calculated Property |
| η | 0.0006479 | Pa×s | 429.27 | Calculated Property |
| η | 0.0004831 | Pa×s | 456.19 | Calculated Property |
| η | 0.0003722 | Pa×s | 483.12 | Calculated Property |
| η | 0.0002947 | Pa×s | 510.04 | Calculated Property |
| η | 0.0002389 | Pa×s | 536.97 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, monochloride 2-methylpent-3-yl 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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