- InChI
- InChI=1S/C18H20O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2
- InChI Key
- KLDUFQGXXVNTDL-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
- O=C(CCc1ccccc1)OCCCc1ccccc1
- Molecular Weight1
- 268.35
- CAS
- 60045-27-4
- Other Names
-
- 3-Phenylpropionic acid, 3-phenylpropyl ester
- 3-Phenylpropyl 3-phenylpropanoate
- 3-phenylpropyl 3-phenylpropionate
- 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° | 91.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.43 | Crippen Calculated Property | |
| logPoct/wat | 3.795 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [2090.00; 2175.20] |
|
|
| Inp | 2090.00 | NIST | |
| Inp | 2175.20 | NIST | |
| Inp | 2090.00 | NIST | |
| Inp | 2115.00 | NIST | |
| Inp | 2175.20 | NIST | |
| I | [2925.00; 2925.00] |
|
|
| I | 2925.00 | NIST | |
| I | 2925.00 | NIST | |
| Tboil | 740.89 | K | Joback Calculated Property |
| Tc | 965.64 | K | Joback Calculated Property |
| Tfus | 417.62 | K | Joback Calculated Property |
| Vc | 0.852 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.67; 709.15] | J/mol×K | [740.89; 965.64] |
|
| Cp,gas | 626.67 | J/mol×K | 740.89 | Joback Calculated Property |
| Cp,gas | 643.33 | J/mol×K | 778.35 | Joback Calculated Property |
| Cp,gas | 658.75 | J/mol×K | 815.81 | Joback Calculated Property |
| Cp,gas | 672.98 | J/mol×K | 853.26 | Joback Calculated Property |
| Cp,gas | 686.08 | J/mol×K | 890.72 | Joback Calculated Property |
| Cp,gas | 698.12 | J/mol×K | 928.18 | Joback Calculated Property |
| Cp,gas | 709.15 | J/mol×K | 965.64 | Joback Calculated Property |
| η | [0.0000968; 0.0012396] | Pa×s | [417.62; 740.89] |
|
| η | 0.0012396 | Pa×s | 417.62 | Joback Calculated Property |
| η | 0.0006357 | Pa×s | 471.50 | Joback Calculated Property |
| η | 0.0003739 | Pa×s | 525.38 | Joback Calculated Property |
| η | 0.0002427 | Pa×s | 579.25 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 633.13 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 687.01 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 740.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 3-phenylpropyl ester.
Sources
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