- InChI
- InChI=1S/C15H14O4/c1-18-13-8-7-12(15(16)17)9-14(13)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
- InChI Key
- YPDXIGBSOBESNI-UHFFFAOYSA-N
- Formula
- C15H14O4
- SMILES
- COc1ccc(C(=O)O)cc1OCc1ccccc1
- Molecular Weight1
- 258.27
- CAS
- 58452-00-9
- Other Names
-
- Benzoic acid, 4-methoxy-3-(phenylmethoxy)-
- Benzoic acid, 3-benzyloxy-4-methoxy-
- 3-benzyloxy-p-anisic acid
- 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).
- 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° | -194.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -432.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 2.972 | Crippen Calculated Property | |
| McVol | 193.870 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Tboil | 796.81 | K | Joback Calculated Property |
| Tc | 1016.28 | K | Joback Calculated Property |
| Tfus | 491.90 | K | Joback Calculated Property |
| Vc | 0.721 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.94; 597.76] | J/mol×K | [796.81; 1016.28] | 
|
| Cp,gas | 541.94 | J/mol×K | 796.81 | Joback Calculated Property |
| Cp,gas | 553.60 | J/mol×K | 833.39 | Joback Calculated Property |
| Cp,gas | 564.29 | J/mol×K | 869.97 | Joback Calculated Property |
| Cp,gas | 574.04 | J/mol×K | 906.55 | Joback Calculated Property |
| Cp,gas | 582.85 | J/mol×K | 943.12 | Joback Calculated Property |
| Cp,gas | 590.75 | J/mol×K | 979.70 | Joback Calculated Property |
| Cp,gas | 597.76 | J/mol×K | 1016.28 | Joback Calculated Property |
| η | [0.0000200; 0.0004137] | Pa×s | [491.90; 796.81] |
|
| η | 0.0004137 | Pa×s | 491.90 | Joback Calculated Property |
| η | 0.0001970 | Pa×s | 542.72 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 593.54 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 644.36 | Joback Calculated Property |
| η | 0.0000408 | Pa×s | 695.17 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 745.99 | Joback Calculated Property |
| η | 0.0000200 | Pa×s | 796.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Benzyloxy-4-methoxybenzoic acid.
Sources
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