- InChI
- InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-12H,13-15H2/b12-7+
- InChI Key
- SYPODLJMXGVBQI-KPKJPENVSA-N
- Formula
- C18H18O2
- SMILES
- O=C(CCc1ccccc1)OCC=Cc1ccccc1
- Molecular Weight1
- 266.33
- CAS
- 28048-98-8
- Other Names
-
- Cinnamyl-«beta»-phenylpropionate
- Cinnamyl 3-phenylpropanoate
- 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° | 171.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -69.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.876 | Crippen Calculated Property | |
| McVol | 220.100 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | [2250.20; 2250.20] |
|
|
| Inp | 2250.20 | NIST | |
| Inp | 2250.20 | NIST | |
| Tboil | 745.05 | K | Joback Calculated Property |
| Tc | 978.05 | K | Joback Calculated Property |
| Tfus | 412.54 | K | Joback Calculated Property |
| Vc | 0.832 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.39; 682.16] | J/mol×K | [745.05; 978.05] |
|
| Cp,gas | 602.39 | J/mol×K | 745.05 | Joback Calculated Property |
| Cp,gas | 618.52 | J/mol×K | 783.88 | Joback Calculated Property |
| Cp,gas | 633.41 | J/mol×K | 822.72 | Joback Calculated Property |
| Cp,gas | 647.13 | J/mol×K | 861.55 | Joback Calculated Property |
| Cp,gas | 659.78 | J/mol×K | 900.38 | Joback Calculated Property |
| Cp,gas | 671.42 | J/mol×K | 939.22 | Joback Calculated Property |
| Cp,gas | 682.16 | J/mol×K | 978.05 | Joback Calculated Property |
| η | [0.0000838; 0.0011452] | Pa×s | [412.54; 745.05] |
|
| η | 0.0011452 | Pa×s | 412.54 | Joback Calculated Property |
| η | 0.0005723 | Pa×s | 467.96 | Joback Calculated Property |
| η | 0.0003312 | Pa×s | 523.38 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 578.80 | Joback Calculated Property |
| η | 0.0001478 | Pa×s | 634.21 | Joback Calculated Property |
| η | 0.0001088 | Pa×s | 689.63 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 745.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, 3-phenyl-2-propenyl ester.
Sources
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