- InChI
- InChI=1S/C14H12O3/c1-16-12-9-5-6-10-13(12)17-14(15)11-7-3-2-4-8-11/h2-10H,1H3
- InChI Key
- IZYQCDNLUPLXOO-UHFFFAOYSA-N
- Formula
- C14H12O3
- SMILES
- COc1ccccc1OC(=O)c1ccccc1
- Molecular Weight1
- 228.24
- CAS
- 531-37-3
- Other Names
-
- o-Methoxyphenyl benzoate
- Phenol, 2-methoxy-, benzoate
- o-Anisyl benzoate
- Benzcaine
- Benzosol
- Benzoylguaiacol
- Guaiacol benzoate
- Phenol, o-methoxy-, benzoate
- 2-Methyoxyphenyl benzoate
- Benzoguaiacol
- Benzoic acid, 2-methoxyphenyl 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° | -56.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Crippen Calculated Property | |
| logPoct/wat | 2.914 | Crippen Calculated Property | |
| McVol | 173.910 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | [1893.00; 1893.00] |
|
|
| Inp | 1893.00 | NIST | |
| Inp | 1893.00 | NIST | |
| Tboil | 676.77 | K | Joback Calculated Property |
| Tc | 916.60 | K | Joback Calculated Property |
| Tfus | 407.29 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.07; 511.55] | J/mol×K | [676.77; 916.60] |
|
| Cp,gas | 440.07 | J/mol×K | 676.77 | Joback Calculated Property |
| Cp,gas | 454.76 | J/mol×K | 716.74 | Joback Calculated Property |
| Cp,gas | 468.31 | J/mol×K | 756.71 | Joback Calculated Property |
| Cp,gas | 480.73 | J/mol×K | 796.68 | Joback Calculated Property |
| Cp,gas | 492.07 | J/mol×K | 836.66 | Joback Calculated Property |
| Cp,gas | 502.33 | J/mol×K | 876.63 | Joback Calculated Property |
| Cp,gas | 511.55 | J/mol×K | 916.60 | Joback Calculated Property |
| η | [0.0001185; 0.0009553] | Pa×s | [407.29; 676.77] |
|
| η | 0.0009553 | Pa×s | 407.29 | Joback Calculated Property |
| η | 0.0005676 | Pa×s | 452.20 | Joback Calculated Property |
| η | 0.0003705 | Pa×s | 497.12 | Joback Calculated Property |
| η | 0.0002596 | Pa×s | 542.03 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 586.94 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 631.86 | Joback Calculated Property |
| η | 0.0001185 | Pa×s | 676.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxyphenyl benzoate.
Sources
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