- InChI
- InChI=1S/C13H23ClO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h6,9,12H,3-5,7-8,10-11H2,1-2H3/b9-6+
- InChI Key
- WLTIAUVTCDQKPT-RMKNXTFCSA-N
- Formula
- C13H23ClO2
- SMILES
- CCCCC=CC(C)OC(=O)CCCCCl
- Molecular Weight1
- 246.77
- 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).
- Tc : Critical 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 | -609.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.42 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.074 | Crippen Calculated Property | |
| McVol | 209.410 | ml/mol | McGowan Calculated Property |
| Inp | [1654.70; 1654.70] |
|
|
| Inp | 1654.70 | NIST | |
| Inp | 1654.70 | NIST | |
| Tboil | 515.38 | K | Relay (1.0) Calculated Property |
| Tc | 713.98 | K | Relay (1.0) Calculated Property |
| Tfus | 230.76 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [527.98; 610.36] | J/mol×K | [614.28; 796.94] |
|
| Cp,gas | 527.98 | J/mol×K | 614.28 | Joback Calculated Property |
| Cp,gas | 543.48 | J/mol×K | 644.72 | Joback Calculated Property |
| Cp,gas | 558.24 | J/mol×K | 675.17 | Joback Calculated Property |
| Cp,gas | 572.29 | J/mol×K | 705.61 | Joback Calculated Property |
| Cp,gas | 585.64 | J/mol×K | 736.05 | Joback Calculated Property |
| Cp,gas | 598.32 | J/mol×K | 766.50 | Joback Calculated Property |
| Cp,gas | 610.36 | J/mol×K | 796.94 | Joback Calculated Property |
| η | [0.0001269; 0.0029960] | Pa×s | [318.27; 614.28] |
|
| η | 0.0029960 | Pa×s | 318.27 | Joback Calculated Property |
| η | 0.0012420 | Pa×s | 367.60 | Joback Calculated Property |
| η | 0.0006342 | Pa×s | 416.94 | Joback Calculated Property |
| η | 0.0003733 | Pa×s | 466.27 | Joback Calculated Property |
| η | 0.0002432 | Pa×s | 515.61 | Joback Calculated Property |
| η | 0.0001708 | Pa×s | 564.94 | Joback Calculated Property |
| η | 0.0001269 | Pa×s | 614.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, oct-3-en-2-yl 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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