- InChI
- InChI=1S/C17H18O2/c1-2-14-9-6-10-16(13-14)19-17(18)12-11-15-7-4-3-5-8-15/h3-10,13H,2,11-12H2,1H3
- InChI Key
- ORTPEEHZTWMQIU-UHFFFAOYSA-N
- Formula
- C17H18O2
- SMILES
- CCc1cccc(OC(=O)CCc2ccccc2)c1
- Molecular Weight1
- 254.32
- 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° | 73.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.787 | Crippen Calculated Property | |
| McVol | 210.310 | ml/mol | McGowan Calculated Property |
| Pc | 2149.31 | kPa | Joback Calculated Property |
| Inp | [2097.00; 2097.00] |
|
|
| Inp | 2097.00 | NIST | |
| Inp | 2097.00 | NIST | |
| Tboil | 722.99 | K | Joback Calculated Property |
| Tc | 952.42 | K | Joback Calculated Property |
| Tfus | 418.87 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [571.34; 651.81] | J/mol×K | [722.99; 952.42] |
|
| Cp,gas | 571.34 | J/mol×K | 722.99 | Joback Calculated Property |
| Cp,gas | 587.63 | J/mol×K | 761.23 | Joback Calculated Property |
| Cp,gas | 602.69 | J/mol×K | 799.47 | Joback Calculated Property |
| Cp,gas | 616.59 | J/mol×K | 837.70 | Joback Calculated Property |
| Cp,gas | 629.38 | J/mol×K | 875.94 | Joback Calculated Property |
| Cp,gas | 641.10 | J/mol×K | 914.18 | Joback Calculated Property |
| Cp,gas | 651.81 | J/mol×K | 952.42 | Joback Calculated Property |
| η | [0.0001091; 0.0010936] | Pa×s | [418.87; 722.99] |
|
| η | 0.0010936 | Pa×s | 418.87 | Joback Calculated Property |
| η | 0.0006053 | Pa×s | 469.56 | Joback Calculated Property |
| η | 0.0003760 | Pa×s | 520.24 | Joback Calculated Property |
| η | 0.0002542 | Pa×s | 570.93 | Joback Calculated Property |
| η | 0.0001831 | Pa×s | 621.62 | Joback Calculated Property |
| η | 0.0001386 | Pa×s | 672.30 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 722.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 3-ethylphenyl ester.
Sources
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