- InChI
- InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
- InChI Key
- RGZZCZQQPNJCPO-DHZHZOJOSA-N
- Formula
- C16H14O3
- SMILES
- O=C(C=Cc1ccc(O)cc1)OCc1ccccc1
- Molecular Weight1
- 254.28
- CAS
- 61844-62-0
- 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° | 0.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | [2490.20; 2490.20] |
|
|
| Inp | 2490.20 | NIST | |
| Inp | 2490.20 | NIST | |
| Tboil | 779.91 | K | Joback Calculated Property |
| Tc | 1028.77 | K | Joback Calculated Property |
| Tfus | 501.72 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.32; 614.26] | J/mol×K | [779.91; 1028.77] |
|
| Cp,gas | 544.32 | J/mol×K | 779.91 | Joback Calculated Property |
| Cp,gas | 557.76 | J/mol×K | 821.39 | Joback Calculated Property |
| Cp,gas | 570.28 | J/mol×K | 862.86 | Joback Calculated Property |
| Cp,gas | 582.05 | J/mol×K | 904.34 | Joback Calculated Property |
| Cp,gas | 593.20 | J/mol×K | 945.82 | Joback Calculated Property |
| Cp,gas | 603.89 | J/mol×K | 987.30 | Joback Calculated Property |
| Cp,gas | 614.26 | J/mol×K | 1028.77 | Joback Calculated Property |
| η | [0.0000068; 0.0001977] | Pa×s | [501.72; 779.91] |
|
| η | 0.0001977 | Pa×s | 501.72 | Joback Calculated Property |
| η | 0.0000889 | Pa×s | 548.09 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 594.45 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 640.82 | Joback Calculated Property |
| η | 0.0000154 | Pa×s | 687.18 | Joback Calculated Property |
| η | 0.0000100 | Pa×s | 733.54 | Joback Calculated Property |
| η | 0.0000068 | Pa×s | 779.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzyl trans-4-coumarate.
Sources
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