- InChI
- InChI=1S/C9H15ClO2/c10-7-2-1-6-9(11)12-8-4-3-5-8/h8H,1-7H2
- InChI Key
- IJPXXYJIZRATCH-UHFFFAOYSA-N
- Formula
- C9H15ClO2
- SMILES
- O=C(CCCCCl)OC1CCC1
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -530.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.03 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.491 | Crippen Calculated Property | |
| McVol | 146.490 | ml/mol | McGowan Calculated Property |
| Inp | 1389.30 | NIST | |
| Tboil | 508.29 | K | Relay (1.0) Calculated Property |
| Tfus | 220.81 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [332.72; 410.01] | J/mol×K | [512.18; 708.30] | 
|
| Cp,gas | 332.72 | J/mol×K | 512.18 | Joback Calculated Property |
| Cp,gas | 347.51 | J/mol×K | 544.87 | Joback Calculated Property |
| Cp,gas | 361.51 | J/mol×K | 577.55 | Joback Calculated Property |
| Cp,gas | 374.74 | J/mol×K | 610.24 | Joback Calculated Property |
| Cp,gas | 387.21 | J/mol×K | 642.93 | Joback Calculated Property |
| Cp,gas | 398.96 | J/mol×K | 675.62 | Joback Calculated Property |
| Cp,gas | 410.01 | J/mol×K | 708.30 | Joback Calculated Property |
| η | [0.0003689; 0.0038000] | Pa×s | [277.86; 512.18] |
|
| η | 0.0038000 | Pa×s | 277.86 | Joback Calculated Property |
| η | 0.0020275 | Pa×s | 316.91 | Joback Calculated Property |
| η | 0.0012417 | Pa×s | 355.97 | Joback Calculated Property |
| η | 0.0008378 | Pa×s | 395.02 | Joback Calculated Property |
| η | 0.0006068 | Pa×s | 434.07 | Joback Calculated Property |
| η | 0.0004635 | Pa×s | 473.13 | Joback Calculated Property |
| η | 0.0003689 | Pa×s | 512.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, cyclobutyl 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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