- InChI
- InChI=1S/C9H15ClO2/c1-3-5-8(2)12-9(11)6-4-7-10/h3,8H,1,4-7H2,2H3
- InChI Key
- KQZAXWWCVYQANZ-UHFFFAOYSA-N
- Formula
- C9H15ClO2
- SMILES
- C=CCC(C)OC(=O)CCCCl
- Molecular Weight1
- 190.67
- 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).
- IE : Ionization energy (eV).
- 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 | -493.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.513 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Inp | [1205.00; 1232.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1232.00 | NIST | |
| I | [1730.00; 1748.00] |
|
|
| I | 1730.00 | NIST | |
| I | 1748.00 | NIST | |
| Tboil | 470.28 | 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, 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 | [329.25; 397.56] | J/mol×K | [497.41; 680.82] |
|
| Cp,gas | 329.25 | J/mol×K | 497.41 | Joback Calculated Property |
| Cp,gas | 342.07 | J/mol×K | 527.98 | Joback Calculated Property |
| Cp,gas | 354.30 | J/mol×K | 558.55 | Joback Calculated Property |
| Cp,gas | 365.96 | J/mol×K | 589.11 | Joback Calculated Property |
| Cp,gas | 377.04 | J/mol×K | 619.68 | Joback Calculated Property |
| Cp,gas | 387.58 | J/mol×K | 650.25 | Joback Calculated Property |
| Cp,gas | 397.56 | J/mol×K | 680.82 | Joback Calculated Property |
| η | [0.0002161; 0.0068530] | Pa×s | [246.68; 497.41] |
|
| η | 0.0068530 | Pa×s | 246.68 | Joback Calculated Property |
| η | 0.0025378 | Pa×s | 288.47 | Joback Calculated Property |
| η | 0.0012084 | Pa×s | 330.26 | Joback Calculated Property |
| η | 0.0006798 | Pa×s | 372.04 | Joback Calculated Property |
| η | 0.0004295 | Pa×s | 413.83 | Joback Calculated Property |
| η | 0.0002952 | Pa×s | 455.62 | Joback Calculated Property |
| η | 0.0002161 | Pa×s | 497.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 1-methyl-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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