- InChI
- InChI=1S/C10H17ClO2/c1-3-5-6-7-8-13-10(12)9(11)4-2/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+
- InChI Key
- WKCOAKPPMVZACK-WAYWQWQTSA-N
- Formula
- C10H17ClO2
- SMILES
- CC/C=C\CCOC(=O)C(Cl)CC
- Molecular Weight1
- 204.70
- 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.
- I : 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 | -528.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.903 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Inp | [1297.00; 1323.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Inp | 1323.00 | NIST | |
| I | [1710.00; 1808.00] |
|
|
| I | 1710.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1776.00 | NIST | |
| I | 1808.00 | NIST | |
| I | 1710.00 | NIST | |
| Tboil | 482.60 | 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 | [375.19; 448.45] | J/mol×K | [527.77; 713.61] |
|
| Cp,gas | 375.19 | J/mol×K | 527.77 | Joback Calculated Property |
| Cp,gas | 389.03 | J/mol×K | 558.74 | Joback Calculated Property |
| Cp,gas | 402.20 | J/mol×K | 589.72 | Joback Calculated Property |
| Cp,gas | 414.70 | J/mol×K | 620.69 | Joback Calculated Property |
| Cp,gas | 426.57 | J/mol×K | 651.66 | Joback Calculated Property |
| Cp,gas | 437.81 | J/mol×K | 682.64 | Joback Calculated Property |
| Cp,gas | 448.45 | J/mol×K | 713.61 | Joback Calculated Property |
| η | [0.0001617; 0.0066323] | Pa×s | [254.63; 527.77] |
|
| η | 0.0066323 | Pa×s | 254.63 | Joback Calculated Property |
| η | 0.0022337 | Pa×s | 300.15 | Joback Calculated Property |
| η | 0.0010020 | Pa×s | 345.68 | Joback Calculated Property |
| η | 0.0005417 | Pa×s | 391.20 | Joback Calculated Property |
| η | 0.0003329 | Pa×s | 436.72 | Joback Calculated Property |
| η | 0.0002243 | Pa×s | 482.25 | Joback Calculated Property |
| η | 0.0001617 | Pa×s | 527.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-chloro, (Z)-3-hexenyl 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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