- InChI
- InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
- InChI Key
- KGDJMNKPBUNHGY-RMKNXTFCSA-N
- Formula
- C12H14O2
- SMILES
- CCC(=O)OCC=Cc1ccccc1
- Molecular Weight1
- 190.24
- CAS
- 103-56-0
- Other Names
-
- Cinnamyl alcohol, propionate
- Cinnamyl propionate
- Propionic acid, cinnamyl ester
- 3-Phenyl-2-propen-1-yl propionate
- 3-Phenyl-2-propenyl propionate
- Cinnamyl n-propionate
- 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° | 8.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -182.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 2.653 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | 1519.00 | NIST | |
| I | [2169.00; 2194.00] |
|
|
| I | 2169.00 | NIST | |
| I | 2194.00 | NIST | |
| Tboil | 581.09 | K | Joback Calculated Property |
| Tc | 796.06 | K | Joback Calculated Property |
| Tfus | 318.50 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.36; 449.48] | J/mol×K | [581.09; 796.06] |
|
| Cp,gas | 374.36 | J/mol×K | 581.09 | Joback Calculated Property |
| Cp,gas | 389.03 | J/mol×K | 616.92 | Joback Calculated Property |
| Cp,gas | 402.78 | J/mol×K | 652.75 | Joback Calculated Property |
| Cp,gas | 415.66 | J/mol×K | 688.57 | Joback Calculated Property |
| Cp,gas | 427.72 | J/mol×K | 724.40 | Joback Calculated Property |
| Cp,gas | 438.98 | J/mol×K | 760.23 | Joback Calculated Property |
| Cp,gas | 449.48 | J/mol×K | 796.06 | Joback Calculated Property |
| η | [0.0001569; 0.0020709] | Pa×s | [318.50; 581.09] |
|
| η | 0.0020709 | Pa×s | 318.50 | Joback Calculated Property |
| η | 0.0010390 | Pa×s | 362.26 | Joback Calculated Property |
| η | 0.0006049 | Pa×s | 406.03 | Joback Calculated Property |
| η | 0.0003912 | Pa×s | 449.80 | Joback Calculated Property |
| η | 0.0002734 | Pa×s | 493.56 | Joback Calculated Property |
| η | 0.0002025 | Pa×s | 537.33 | Joback Calculated Property |
| η | 0.0001569 | Pa×s | 581.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-ol, 3-phenyl-, propanoate.
Sources
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