- InChI
- InChI=1S/C8H13ClO2/c1-3-5-6-11-8(10)7(9)4-2/h3,7H,1,4-6H2,2H3
- InChI Key
- UZUCXEVHKDWGRI-UHFFFAOYSA-N
- Formula
- C8H13ClO2
- SMILES
- C=CCCOC(=O)C(Cl)CC
- Molecular Weight1
- 176.64
- 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 | -475.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.123 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Inp | [1088.00; 1115.00] |
|
|
| Inp | 1109.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1115.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Tboil | 453.59 | 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 | [286.06; 349.26] | J/mol×K | [474.53; 659.85] |
|
| Cp,gas | 286.06 | J/mol×K | 474.53 | Joback Calculated Property |
| Cp,gas | 297.92 | J/mol×K | 505.42 | Joback Calculated Property |
| Cp,gas | 309.23 | J/mol×K | 536.30 | Joback Calculated Property |
| Cp,gas | 320.01 | J/mol×K | 567.19 | Joback Calculated Property |
| Cp,gas | 330.27 | J/mol×K | 598.08 | Joback Calculated Property |
| Cp,gas | 340.02 | J/mol×K | 628.96 | Joback Calculated Property |
| Cp,gas | 349.26 | J/mol×K | 659.85 | Joback Calculated Property |
| η | [0.0002360; 0.0072108] | Pa×s | [235.41; 474.53] |
|
| η | 0.0072108 | Pa×s | 235.41 | Joback Calculated Property |
| η | 0.0026997 | Pa×s | 275.26 | Joback Calculated Property |
| η | 0.0012959 | Pa×s | 315.12 | Joback Calculated Property |
| η | 0.0007335 | Pa×s | 354.97 | Joback Calculated Property |
| η | 0.0004657 | Pa×s | 394.82 | Joback Calculated Property |
| η | 0.0003214 | Pa×s | 434.68 | Joback Calculated Property |
| η | 0.0002360 | Pa×s | 474.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-chloro, 3-butenyl 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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