- InChI
- InChI=1S/C9H11ClO3/c1-3-4-7(2)13-9(12)6-5-8(10)11/h3,5-7H,1,4H2,2H3/b6-5+
- InChI Key
- WBAFEBVXXKAFFY-AATRIKPKSA-N
- Formula
- C9H11ClO3
- SMILES
- C=CCC(C)OC(=O)C=CC(=O)Cl
- Molecular Weight1
- 202.63
- Other Names
-
- Fumaric acid, monochloride, pent-4-en-2-yl chloride
- 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.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -526.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.55 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.816 | Crippen Calculated Property | |
| McVol | 150.320 | ml/mol | McGowan Calculated Property |
| Inp | [1244.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Tfus | 245.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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 | [328.31; 386.37] | J/mol×K | [555.44; 755.98] |
|
| Cp,gas | 328.31 | J/mol×K | 555.44 | Joback Calculated Property |
| Cp,gas | 339.59 | J/mol×K | 588.86 | Joback Calculated Property |
| Cp,gas | 350.20 | J/mol×K | 622.29 | Joback Calculated Property |
| Cp,gas | 360.16 | J/mol×K | 655.71 | Joback Calculated Property |
| Cp,gas | 369.49 | J/mol×K | 689.14 | Joback Calculated Property |
| Cp,gas | 378.22 | J/mol×K | 722.56 | Joback Calculated Property |
| Cp,gas | 386.37 | J/mol×K | 755.98 | Joback Calculated Property |
| η | [0.0001896; 0.0042912] | Pa×s | [291.53; 555.44] |
|
| η | 0.0042912 | Pa×s | 291.53 | Joback Calculated Property |
| η | 0.0018146 | Pa×s | 335.52 | Joback Calculated Property |
| η | 0.0009368 | Pa×s | 379.50 | Joback Calculated Property |
| η | 0.0005548 | Pa×s | 423.49 | Joback Calculated Property |
| η | 0.0003626 | Pa×s | 467.47 | Joback Calculated Property |
| η | 0.0002550 | Pa×s | 511.46 | Joback Calculated Property |
| η | 0.0001896 | Pa×s | 555.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric 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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