- InChI
- InChI=1S/C18H19ClO3/c19-13-5-4-8-18(20)22-17-11-9-16(10-12-17)21-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2
- InChI Key
- WXPUTBOXHOZGMQ-UHFFFAOYSA-N
- Formula
- C18H19ClO3
- SMILES
-
O=C(CCCCCl)Oc1ccc(OCc2ccccc2)c
c1 - Molecular Weight1
- 318.80
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfusH° | 39.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.580 | Crippen Calculated Property | |
| McVol | 242.510 | ml/mol | McGowan Calculated Property |
| Inp | [2596.00; 2596.00] |
|
|
| Inp | 2596.00 | NIST | |
| Inp | 2596.00 | NIST | |
| Tboil | 657.79 | K | Relay (1.0) Calculated Property |
| Tfus | 326.99 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [674.75; 745.52] | J/mol×K | [787.85; 1012.10] |
|
| Cp,gas | 674.75 | J/mol×K | 787.85 | Joback Calculated Property |
| Cp,gas | 689.58 | J/mol×K | 825.23 | Joback Calculated Property |
| Cp,gas | 703.14 | J/mol×K | 862.60 | Joback Calculated Property |
| Cp,gas | 715.47 | J/mol×K | 899.98 | Joback Calculated Property |
| Cp,gas | 726.62 | J/mol×K | 937.35 | Joback Calculated Property |
| Cp,gas | 736.62 | J/mol×K | 974.73 | Joback Calculated Property |
| Cp,gas | 745.52 | J/mol×K | 1012.10 | Joback Calculated Property |
| η | [0.0000584; 0.0007435] | Pa×s | [452.46; 787.85] |
|
| η | 0.0007435 | Pa×s | 452.46 | Joback Calculated Property |
| η | 0.0003854 | Pa×s | 508.36 | Joback Calculated Property |
| η | 0.0002275 | Pa×s | 564.26 | Joback Calculated Property |
| η | 0.0001477 | Pa×s | 620.15 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 676.05 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 731.95 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 787.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 4-benzyloxyphenyl 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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