- 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.
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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.54; 409.55] | J/mol×K | [551.28; 743.51] |
|
| Cp,gas | 347.54 | J/mol×K | 551.28 | Joback Calculated Property |
| Cp,gas | 359.39 | J/mol×K | 583.32 | Joback Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 615.36 | Joback Calculated Property |
| Cp,gas | 381.23 | J/mol×K | 647.40 | Joback Calculated Property |
| Cp,gas | 391.25 | J/mol×K | 679.43 | Joback Calculated Property |
| Cp,gas | 400.69 | J/mol×K | 711.47 | Joback Calculated Property |
| Cp,gas | 409.55 | J/mol×K | 743.51 | Joback Calculated Property |
| η | [0.0002236; 0.0045728] | Pa×s | [296.61; 551.28] |
|
| η | 0.0045728 | Pa×s | 296.61 | Joback Calculated Property |
| η | 0.0020183 | Pa×s | 339.06 | Joback Calculated Property |
| η | 0.0010687 | Pa×s | 381.50 | Joback Calculated Property |
| η | 0.0006427 | Pa×s | 423.94 | Joback Calculated Property |
| η | 0.0004240 | Pa×s | 466.39 | Joback Calculated Property |
| η | 0.0002998 | Pa×s | 508.83 | Joback Calculated Property |
| η | 0.0002236 | Pa×s | 551.28 | Joback 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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