- 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° | 22.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.44 | 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 | 224.03 | 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 | [337.92; 413.59] | J/mol×K | [530.05; 728.93] | 
|
| Cp,gas | 337.92 | J/mol×K | 530.05 | Joback Calculated Property |
| Cp,gas | 352.34 | J/mol×K | 563.20 | Joback Calculated Property |
| Cp,gas | 366.00 | J/mol×K | 596.34 | Joback Calculated Property |
| Cp,gas | 378.93 | J/mol×K | 629.49 | Joback Calculated Property |
| Cp,gas | 391.16 | J/mol×K | 662.63 | Joback Calculated Property |
| Cp,gas | 402.70 | J/mol×K | 695.78 | Joback Calculated Property |
| Cp,gas | 413.59 | J/mol×K | 728.93 | Joback Calculated Property |
| η | [0.0004062; 0.0027213] | Pa×s | [307.69; 530.05] |
|
| η | 0.0027213 | Pa×s | 307.69 | Joback Calculated Property |
| η | 0.0016715 | Pa×s | 344.75 | Joback Calculated Property |
| η | 0.0011286 | Pa×s | 381.81 | Joback Calculated Property |
| η | 0.0008169 | Pa×s | 418.87 | Joback Calculated Property |
| η | 0.0006231 | Pa×s | 455.93 | Joback Calculated Property |
| η | 0.0004951 | Pa×s | 492.99 | Joback Calculated Property |
| η | 0.0004062 | Pa×s | 530.05 | 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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