- InChI
- InChI=1S/C23H22O3/c1-2-22(19-11-7-4-8-12-19)23(24)26-21-15-13-20(14-16-21)25-17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3
- InChI Key
- PIGCRLOQWZAHMD-UHFFFAOYSA-N
- Formula
- C23H22O3
- SMILES
-
CCC(C(=O)Oc1ccc(OCc2ccccc2)cc1
)c1ccccc1 - Molecular Weight1
- 346.42
- 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 | 0.7782 | Relay (1.0) Calculated Property | |
| ΔfG° | 129.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 276.960 | ml/mol | McGowan Calculated Property |
| Pc | 1720.31 | kPa | Joback Calculated Property |
| Inp | [2701.00; 2701.00] |
|
|
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Tboil | 691.09 | K | Relay (1.0) Calculated Property |
| Tc | 980.57 | K | Relay (1.0) Calculated Property |
| Tfus | 373.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [843.17; 909.92] | J/mol×K | [908.93; 1153.90] |
|
| Cp,gas | 843.17 | J/mol×K | 908.93 | Joback Calculated Property |
| Cp,gas | 857.87 | J/mol×K | 949.76 | Joback Calculated Property |
| Cp,gas | 871.04 | J/mol×K | 990.59 | Joback Calculated Property |
| Cp,gas | 882.74 | J/mol×K | 1031.42 | Joback Calculated Property |
| Cp,gas | 893.07 | J/mol×K | 1072.24 | Joback Calculated Property |
| Cp,gas | 902.10 | J/mol×K | 1113.07 | Joback Calculated Property |
| Cp,gas | 909.92 | J/mol×K | 1153.90 | Joback Calculated Property |
| η | [0.0000362; 0.0004456] | Pa×s | [520.14; 908.93] |
|
| η | 0.0004456 | Pa×s | 520.14 | Joback Calculated Property |
| η | 0.0002325 | Pa×s | 584.94 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 649.74 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 714.54 | Joback Calculated Property |
| η | 0.0000632 | Pa×s | 779.33 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 844.13 | Joback Calculated Property |
| η | 0.0000362 | Pa×s | 908.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 4-benzyloxyphenyl ester.
Sources
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