- InChI
- InChI=1S/C21H18O2/c22-21(16-11-17-7-3-1-4-8-17)23-20-14-12-19(13-15-20)18-9-5-2-6-10-18/h1-10,12-15H,11,16H2
- InChI Key
- MVWUPRQPAKZDTD-UHFFFAOYSA-N
- Formula
- C21H18O2
- SMILES
-
O=C(CCc1ccccc1)Oc1ccc(-c2ccccc
2)cc1 - Molecular Weight1
- 302.37
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7076 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -63.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.892 | Crippen Calculated Property | |
| McVol | 242.910 | ml/mol | McGowan Calculated Property |
| Pc | 2047.46 | kPa | Joback Calculated Property |
| Inp | [2777.00; 2777.00] |
|
|
| Inp | 2777.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Tboil | 687.44 | K | Relay (1.0) Calculated Property |
| Tc | 970.07 | K | Relay (1.0) Calculated Property |
| Tfus | 380.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.883 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.99; 773.17] | J/mol×K | [841.19; 1093.41] |
|
| Cp,gas | 700.99 | J/mol×K | 841.19 | Joback Calculated Property |
| Cp,gas | 716.35 | J/mol×K | 883.23 | Joback Calculated Property |
| Cp,gas | 730.25 | J/mol×K | 925.26 | Joback Calculated Property |
| Cp,gas | 742.78 | J/mol×K | 967.30 | Joback Calculated Property |
| Cp,gas | 754.04 | J/mol×K | 1009.34 | Joback Calculated Property |
| Cp,gas | 764.14 | J/mol×K | 1051.37 | Joback Calculated Property |
| Cp,gas | 773.17 | J/mol×K | 1093.41 | Joback Calculated Property |
| η | [0.0000685; 0.0006837] | Pa×s | [490.37; 841.19] |
|
| η | 0.0006837 | Pa×s | 490.37 | Joback Calculated Property |
| η | 0.0003799 | Pa×s | 548.84 | Joback Calculated Property |
| η | 0.0002364 | Pa×s | 607.31 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 665.78 | Joback Calculated Property |
| η | 0.0001151 | Pa×s | 724.25 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 782.72 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 841.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 4-biphenyl ester.
Sources
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