- InChI
- InChI=1S/C9H13ClO3/c1-3-4-7(2)13-9(12)6-5-8(10)11/h3,7H,1,4-6H2,2H3
- InChI Key
- LBRRWHKGDPAWTB-UHFFFAOYSA-N
- Formula
- C9H13ClO3
- SMILES
- C=CCC(C)OC(=O)CCC(=O)Cl
- Molecular Weight1
- 204.65
- 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.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -603.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.83 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.040 | Crippen Calculated Property | |
| McVol | 154.620 | ml/mol | McGowan Calculated Property |
| Inp | [1275.00; 1275.00] |
|
|
| Inp | 1275.00 | NIST | |
| Inp | 1275.00 | NIST | |
| Tboil | 489.18 | 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 | [216.95; 461.07] | 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 | 3.56930e+01 | |||
| Coefficient B | 7.68720e-01 | |||
| Coefficient C | -3.99000e-04 | |||
| Coefficient D | 5.56600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 298.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 333.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 363.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 390.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 432.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 448.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 461.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045728; 0.0002753] | Pa×s | [296.61; 520.46] |
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 | -1.19207e+01 | |||
| Coefficient B | 1.93777e+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. | 296.61 | |||
| Temperature range, max. | 520.46 | |||
| η | 0.0045728 | Pa×s | 296.61 | Calculated Property |
| η | 0.0027585 | Pa×s | 321.48 | Calculated Property |
| η | 0.0017893 | Pa×s | 346.35 | Calculated Property |
| η | 0.0012300 | Pa×s | 371.23 | Calculated Property |
| η | 0.0008862 | Pa×s | 396.10 | Calculated Property |
| η | 0.0006638 | Pa×s | 420.97 | Calculated Property |
| η | 0.0005134 | Pa×s | 445.84 | Calculated Property |
| η | 0.0004081 | Pa×s | 470.71 | Calculated Property |
| η | 0.0003319 | Pa×s | 495.59 | Calculated Property |
| η | 0.0002753 | Pa×s | 520.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, monochloride pent-4-en-2-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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