- InChI
- InChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
- InChI Key
- MJQVZIANGRDJBT-VAWYXSNFSA-N
- Formula
- C17H16O2
- SMILES
- O=C(C=Cc1ccccc1)OCCc1ccccc1
- Molecular Weight1
- 252.31
- CAS
- 103-53-7
- Other Names
-
- Cinnamic acid, phenethyl ester
- «beta»-Phenethyl cinnamate
- «beta»-Phenylethyl cinnamate
- Benzylcarbinyl cinnamate
- Phenethyl cinnamate
- Phenylethyl cinnamate
- 2-Phenylethyl cinnamate
- 2-Phenylethyl 3-phenyl-2-propenoate
- Cinnamic acid, phenylethyl ester
- NSC 16962
- 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° | 163.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.486 | Crippen Calculated Property | |
| McVol | 206.010 | ml/mol | McGowan Calculated Property |
| Pc | 2289.32 | kPa | Joback Calculated Property |
| Inp | [2125.00; 2158.00] |
|
|
| Inp | 2158.00 | NIST | |
| Inp | 2143.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Inp | 2147.00 | NIST | |
| Inp | Outlier 2125.00 | NIST | |
| Inp | 2150.00 | NIST | |
| I | 3100.00 | NIST | |
| Tboil | 722.17 | K | Joback Calculated Property |
| Tc | 959.64 | K | Joback Calculated Property |
| Tfus | 401.27 | K | Joback Calculated Property |
| Vc | 0.775 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.46; 626.50] | J/mol×K | [722.17; 959.64] |
|
| Cp,gas | 548.46 | J/mol×K | 722.17 | Joback Calculated Property |
| Cp,gas | 564.34 | J/mol×K | 761.75 | Joback Calculated Property |
| Cp,gas | 578.95 | J/mol×K | 801.33 | Joback Calculated Property |
| Cp,gas | 592.39 | J/mol×K | 840.90 | Joback Calculated Property |
| Cp,gas | 604.74 | J/mol×K | 880.48 | Joback Calculated Property |
| Cp,gas | 616.08 | J/mol×K | 920.06 | Joback Calculated Property |
| Cp,gas | 626.50 | J/mol×K | 959.64 | Joback Calculated Property |
| η | [0.0000943; 0.0012341] | Pa×s | [401.27; 722.17] |
|
| η | 0.0012341 | Pa×s | 401.27 | Joback Calculated Property |
| η | 0.0006248 | Pa×s | 454.75 | Joback Calculated Property |
| η | 0.0003650 | Pa×s | 508.24 | Joback Calculated Property |
| η | 0.0002362 | Pa×s | 561.72 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 615.20 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 668.69 | Joback Calculated Property |
| η | 0.0000943 | Pa×s | 722.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 3-phenyl-, 2-phenylethyl ester.
Sources
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that the value is more than 2 standard deviations away from the
property mean.