- InChI
- InChI=1S/C15H13ClO2/c1-11(12-6-3-2-4-7-12)18-15(17)13-8-5-9-14(16)10-13/h2-11H,1H3
- InChI Key
- TZHYMJYOHPXXRU-UHFFFAOYSA-N
- Formula
- C15H13ClO2
- SMILES
- CC(OC(=O)c1cccc(Cl)c1)c1ccccc1
- Molecular Weight1
- 260.72
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 42.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 4.258 | Crippen Calculated Property | |
| McVol | 194.370 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Inp | [1880.00; 1949.00] |
|
|
| Inp | 1880.00 | NIST | |
| Inp | 1894.00 | NIST | |
| Inp | 1910.00 | NIST | |
| Inp | 1923.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Inp | 1949.00 | NIST | |
| Inp | 1904.00 | NIST | |
| Inp | 1915.00 | NIST | |
| I | [2692.00; 2771.00] |
|
|
| I | 2692.00 | NIST | |
| I | 2717.00 | NIST | |
| I | 2745.00 | NIST | |
| I | 2771.00 | NIST | |
| I | 2739.00 | NIST | |
| I | 2722.00 | NIST | |
| I | 2692.00 | NIST | |
| I | 2739.00 | NIST | |
| Tboil | 714.22 | K | Joback Calculated Property |
| Tc | 960.09 | K | Joback Calculated Property |
| Tfus | 411.25 | K | Joback Calculated Property |
| Vc | 0.727 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.72; 561.64] | J/mol×K | [714.22; 960.09] |
|
| Cp,gas | 491.72 | J/mol×K | 714.22 | Joback Calculated Property |
| Cp,gas | 506.28 | J/mol×K | 755.20 | Joback Calculated Property |
| Cp,gas | 519.60 | J/mol×K | 796.18 | Joback Calculated Property |
| Cp,gas | 531.74 | J/mol×K | 837.16 | Joback Calculated Property |
| Cp,gas | 542.75 | J/mol×K | 878.14 | Joback Calculated Property |
| Cp,gas | 552.70 | J/mol×K | 919.12 | Joback Calculated Property |
| Cp,gas | 561.64 | J/mol×K | 960.09 | Joback Calculated Property |
| η | [0.0001162; 0.0012667] | Pa×s | [411.25; 714.22] |
|
| η | 0.0012667 | Pa×s | 411.25 | Joback Calculated Property |
| η | 0.0006843 | Pa×s | 461.75 | Joback Calculated Property |
| η | 0.0004174 | Pa×s | 512.24 | Joback Calculated Property |
| η | 0.0002782 | Pa×s | 562.74 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 613.23 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 663.73 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 714.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Phenylethyl 3-chlorobenzoate.
Sources
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