- InChI
- InChI=1S/C16H16O2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-10H,11-13H2
- InChI Key
- IGUMLGLEYCGKBJ-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- O=C(CCc1ccccc1)OCc1ccccc1
- Molecular Weight1
- 240.30
- CAS
- 22767-96-0
- Other Names
-
- Benzyl hydrocinnamic acid
- 3-Phenylpropionic acid, benzyl ester
- Benzyl hydrocinnamate
- Benzyl 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° | 74.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -145.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.92 | kJ/mol | Joback Calculated Property |
| log10WS | -4.08 | Crippen Calculated Property | |
| logPoct/wat | 3.363 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | [1941.70; 1941.70] |
|
|
| Inp | 1941.70 | NIST | |
| Inp | 1941.70 | NIST | |
| Tboil | 695.13 | K | Joback Calculated Property |
| Tc | 928.08 | K | Joback Calculated Property |
| Tfus | 395.08 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.86; 598.26] | J/mol×K | [695.13; 928.08] |
|
| Cp,gas | 518.86 | J/mol×K | 695.13 | Joback Calculated Property |
| Cp,gas | 535.01 | J/mol×K | 733.95 | Joback Calculated Property |
| Cp,gas | 549.92 | J/mol×K | 772.78 | Joback Calculated Property |
| Cp,gas | 563.64 | J/mol×K | 811.60 | Joback Calculated Property |
| Cp,gas | 576.23 | J/mol×K | 850.43 | Joback Calculated Property |
| Cp,gas | 587.75 | J/mol×K | 889.25 | Joback Calculated Property |
| Cp,gas | 598.26 | J/mol×K | 928.08 | Joback Calculated Property |
| η | [0.0001223; 0.0014320] | Pa×s | [395.08; 695.13] |
|
| η | 0.0014320 | Pa×s | 395.08 | Joback Calculated Property |
| η | 0.0007547 | Pa×s | 445.09 | Joback Calculated Property |
| η | 0.0004527 | Pa×s | 495.10 | Joback Calculated Property |
| η | 0.0002983 | Pa×s | 545.11 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 595.11 | Joback Calculated Property |
| η | 0.0001572 | Pa×s | 645.12 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 695.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenepropanoic acid, phenylmethyl ester.
Sources
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