- InChI
- InChI=1S/C21H18O4/c1-23-20-9-5-8-17(14-20)21(22)25-19-12-10-18(11-13-19)24-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
- InChI Key
- PCDDKDJQBZUEQW-UHFFFAOYSA-N
- Formula
- C21H18O4
- SMILES
-
COc1cccc(C(=O)Oc2ccc(OCc3ccccc
3)cc2)c1 - Molecular Weight1
- 334.37
- CAS
- 306743-72-6
- Other Names
-
- m-Anisic acid, 4-benzyloxyphenyl ester
- 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° | -0.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -299.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 4.493 | Crippen Calculated Property | |
| McVol | 254.650 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [2907.00; 2907.00] |
|
|
| Inp | 2907.00 | NIST | |
| Inp | 2907.00 | NIST | |
| Tboil | 891.01 | K | Joback Calculated Property |
| Tc | 1137.48 | K | Joback Calculated Property |
| Tfus | 547.35 | K | Joback Calculated Property |
| Vc | 0.948 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [753.04; 811.50] | J/mol×K | [891.01; 1137.48] |
|
| Cp,gas | 753.04 | J/mol×K | 891.01 | Joback Calculated Property |
| Cp,gas | 766.61 | J/mol×K | 932.09 | Joback Calculated Property |
| Cp,gas | 778.61 | J/mol×K | 973.17 | Joback Calculated Property |
| Cp,gas | 789.05 | J/mol×K | 1014.25 | Joback Calculated Property |
| Cp,gas | 797.99 | J/mol×K | 1055.33 | Joback Calculated Property |
| Cp,gas | 805.46 | J/mol×K | 1096.40 | Joback Calculated Property |
| Cp,gas | 811.50 | J/mol×K | 1137.48 | Joback Calculated Property |
| η | [0.0000399; 0.0003075] | Pa×s | [547.35; 891.01] |
|
| η | 0.0003075 | Pa×s | 547.35 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 604.63 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 661.90 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 719.18 | Joback Calculated Property |
| η | 0.0000645 | Pa×s | 776.46 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 833.73 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 891.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methoxy-, 4-benzyloxyphenyl ester.
Sources
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