- InChI
- InChI=1S/C16H15ClO2/c1-2-5-12-6-3-4-7-15(12)19-16(18)13-8-10-14(17)11-9-13/h3-4,6-11H,2,5H2,1H3
- InChI Key
- OGXMTXCERAZEAE-UHFFFAOYSA-N
- Formula
- C16H15ClO2
- SMILES
- CCCc1ccccc1OC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 274.75
- 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 | -264.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.512 | Crippen Calculated Property | |
| McVol | 208.460 | ml/mol | McGowan Calculated Property |
| Inp | [2101.00; 2101.00] |
|
|
| Inp | 2101.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Tboil | 627.16 | K | Relay (1.0) Calculated Property |
| Tfus | 309.05 | 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 | [538.69; 609.80] | J/mol×K | [724.65; 960.18] |
|
| Cp,gas | 538.69 | J/mol×K | 724.65 | Joback Calculated Property |
| Cp,gas | 553.44 | J/mol×K | 763.90 | Joback Calculated Property |
| Cp,gas | 566.97 | J/mol×K | 803.16 | Joback Calculated Property |
| Cp,gas | 579.32 | J/mol×K | 842.41 | Joback Calculated Property |
| Cp,gas | 590.55 | J/mol×K | 881.67 | Joback Calculated Property |
| Cp,gas | 600.69 | J/mol×K | 920.92 | Joback Calculated Property |
| Cp,gas | 609.80 | J/mol×K | 960.18 | Joback Calculated Property |
| η | [0.0000992; 0.0010313] | Pa×s | [420.21; 724.65] |
|
| η | 0.0010313 | Pa×s | 420.21 | Joback Calculated Property |
| η | 0.0005657 | Pa×s | 470.95 | Joback Calculated Property |
| η | 0.0003487 | Pa×s | 521.69 | Joback Calculated Property |
| η | 0.0002342 | Pa×s | 572.43 | Joback Calculated Property |
| η | 0.0001679 | Pa×s | 623.17 | Joback Calculated Property |
| η | 0.0001265 | Pa×s | 673.91 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 724.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 2-propylphenyl 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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