- InChI
- InChI=1S/C16H16O3/c1-18-14-8-10-15(11-9-14)19-16(17)12-7-13-5-3-2-4-6-13/h2-6,8-11H,7,12H2,1H3
- InChI Key
- DLYKJMSERWHROY-UHFFFAOYSA-N
- Formula
- C16H16O3
- SMILES
- COc1ccc(OC(=O)CCc2ccccc2)cc1
- Molecular Weight1
- 256.30
- 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° | -39.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.94 | Crippen Calculated Property | |
| logPoct/wat | 3.233 | Crippen Calculated Property | |
| McVol | 202.090 | ml/mol | McGowan Calculated Property |
| Pc | 2315.84 | kPa | Joback Calculated Property |
| Inp | [2077.00; 2077.00] |
|
|
| Inp | 2077.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Tboil | 722.53 | K | Joback Calculated Property |
| Tc | 953.08 | K | Joback Calculated Property |
| Tfus | 429.83 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.43; 620.12] | J/mol×K | [722.53; 953.08] |
|
| Cp,gas | 544.43 | J/mol×K | 722.53 | Joback Calculated Property |
| Cp,gas | 559.93 | J/mol×K | 760.96 | Joback Calculated Property |
| Cp,gas | 574.23 | J/mol×K | 799.38 | Joback Calculated Property |
| Cp,gas | 587.37 | J/mol×K | 837.81 | Joback Calculated Property |
| Cp,gas | 599.38 | J/mol×K | 876.23 | Joback Calculated Property |
| Cp,gas | 610.29 | J/mol×K | 914.66 | Joback Calculated Property |
| Cp,gas | 620.12 | J/mol×K | 953.08 | Joback Calculated Property |
| η | [0.0000950; 0.0008483] | Pa×s | [429.83; 722.53] |
|
| η | 0.0008483 | Pa×s | 429.83 | Joback Calculated Property |
| η | 0.0004890 | Pa×s | 478.61 | Joback Calculated Property |
| η | 0.0003121 | Pa×s | 527.40 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 576.18 | Joback Calculated Property |
| η | 0.0001569 | Pa×s | 624.96 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 673.75 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 722.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 4-methoxyphenyl ester.
Sources
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