- InChI
- InChI=1S/C18H20O3/c1-14(2)20-16-10-6-7-11-17(16)21-18(19)13-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3
- InChI Key
- FMOBBROVBXLZKT-UHFFFAOYSA-N
- Formula
- C18H20O3
- SMILES
- CC(C)Oc1ccccc1OC(=O)CCc1ccccc1
- Molecular Weight1
- 284.35
- 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° | -25.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -335.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.05 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 4.012 | Crippen Calculated Property | |
| McVol | 230.270 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Inp | 2083.00 | NIST | |
| Tboil | 767.85 | K | Joback Calculated Property |
| Tc | 994.69 | K | Joback Calculated Property |
| Tfus | 437.37 | K | Joback Calculated Property |
| Vc | 0.864 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.03; 733.09] | J/mol×K | [767.85; 994.69] | 
|
| Cp,gas | 654.03 | J/mol×K | 767.85 | Joback Calculated Property |
| Cp,gas | 670.29 | J/mol×K | 805.66 | Joback Calculated Property |
| Cp,gas | 685.26 | J/mol×K | 843.46 | Joback Calculated Property |
| Cp,gas | 699.00 | J/mol×K | 881.27 | Joback Calculated Property |
| Cp,gas | 711.52 | J/mol×K | 919.08 | Joback Calculated Property |
| Cp,gas | 722.87 | J/mol×K | 956.89 | Joback Calculated Property |
| Cp,gas | 733.09 | J/mol×K | 994.69 | Joback Calculated Property |
| η | [0.0000688; 0.0008447] | Pa×s | [437.37; 767.85] |
|
| η | 0.0008447 | Pa×s | 437.37 | Joback Calculated Property |
| η | 0.0004401 | Pa×s | 492.45 | Joback Calculated Property |
| η | 0.0002615 | Pa×s | 547.53 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 602.61 | Joback Calculated Property |
| η | 0.0001199 | Pa×s | 657.69 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 712.77 | Joback Calculated Property |
| η | 0.0000688 | Pa×s | 767.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 2-isopropoxyphenyl ester.
Sources
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