- InChI
- InChI=1S/C17H25ClO2/c18-14-8-3-1-2-4-9-15-20-17(19)13-12-16-10-6-5-7-11-16/h5-7,10-11H,1-4,8-9,12-15H2
- InChI Key
- MZSRWNOOTLGPIZ-UHFFFAOYSA-N
- Formula
- C17H25ClO2
- SMILES
- O=C(CCc1ccccc1)OCCCCCCCCCl
- Molecular Weight1
- 296.83
- 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.
- 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° | -41.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.25 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 4.742 | Crippen Calculated Property | |
| McVol | 246.310 | ml/mol | McGowan Calculated Property |
| Pc | 1587.28 | kPa | Joback Calculated Property |
| Inp | [2345.00; 2345.00] |
|
|
| Inp | 2345.00 | NIST | |
| Inp | 2345.00 | NIST | |
| Tboil | 728.76 | K | Joback Calculated Property |
| Tc | 926.10 | K | Joback Calculated Property |
| Tfus | 409.85 | K | Joback Calculated Property |
| Vc | 0.953 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.56; 769.93] | J/mol×K | [728.76; 926.10] |
|
| Cp,gas | 685.56 | J/mol×K | 728.76 | Joback Calculated Property |
| Cp,gas | 701.96 | J/mol×K | 761.65 | Joback Calculated Property |
| Cp,gas | 717.38 | J/mol×K | 794.54 | Joback Calculated Property |
| Cp,gas | 731.85 | J/mol×K | 827.43 | Joback Calculated Property |
| Cp,gas | 745.41 | J/mol×K | 860.32 | Joback Calculated Property |
| Cp,gas | 758.09 | J/mol×K | 893.21 | Joback Calculated Property |
| Cp,gas | 769.93 | J/mol×K | 926.10 | Joback Calculated Property |
| η | [0.0000973; 0.0013801] | Pa×s | [409.85; 728.76] |
|
| η | 0.0013801 | Pa×s | 409.85 | Joback Calculated Property |
| η | 0.0006882 | Pa×s | 463.00 | Joback Calculated Property |
| η | 0.0003961 | Pa×s | 516.15 | Joback Calculated Property |
| η | 0.0002527 | Pa×s | 569.30 | Joback Calculated Property |
| η | 0.0001741 | Pa×s | 622.46 | Joback Calculated Property |
| η | 0.0001272 | Pa×s | 675.61 | Joback Calculated Property |
| η | 0.0000973 | Pa×s | 728.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 8-chlorooctyl ester.
Sources
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