- InChI
- InChI=1S/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H2
- InChI Key
- ZCTQGTTXIYCGGC-UHFFFAOYSA-N
- Formula
- C14H12O3
- SMILES
- O=C(OCc1ccccc1)c1ccccc1O
- Molecular Weight1
- 228.24
- CAS
- 118-58-1
- Other Names
-
- Salicylic acid, benzyl ester
- Benzyl o-hydroxybenzoate
- Benzyl salicylate
- Salicyclic acid benzyl ester
- benzyle salicylate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- I : 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° | -96.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.37 | Crippen Calculated Property | |
| logPoct/wat | 2.749 | Crippen Calculated Property | |
| McVol | 173.910 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Inp | [1815.00; 1909.00] |
|
|
| Inp | 1850.10 | NIST | |
| Inp | 1859.00 | NIST | |
| Inp | 1876.00 | NIST | |
| Inp | 1869.80 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1869.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Inp | 1841.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Inp | 1846.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Inp | 1857.00 | NIST | |
| Inp | 1870.00 | NIST | |
| Inp | 1860.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1876.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Inp | 1899.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Inp | 1900.00 | NIST | |
| Inp | 1903.00 | NIST | |
| Inp | Outlier 1909.00 | NIST | |
| Inp | 1862.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1857.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1857.00 | NIST | |
| Inp | 1877.40 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1815.00 | NIST | |
| Inp | 1836.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1857.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1826.00 | NIST | |
| Inp | 1864.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1840.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Inp | 1886.00 | NIST | |
| Inp | 1881.00 | NIST | |
| Inp | 1824.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1872.00 | NIST | |
| Inp | 1863.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1861.00 | NIST | |
| Inp | 1850.10 | NIST | |
| Inp | 1870.00 | NIST | |
| Inp | 1899.00 | NIST | |
| Inp | Outlier 1909.00 | NIST | |
| Inp | 1866.00 | NIST | |
| Inp | 1827.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Inp | 1828.00 | NIST | |
| I | [2737.00; 2810.00] |
|
|
| I | 2771.00 | NIST | |
| I | 2767.00 | NIST | |
| I | 2796.00 | NIST | |
| I | 2737.00 | NIST | |
| I | 2810.00 | NIST | |
| I | 2804.00 | NIST | |
| I | 2804.00 | NIST | |
| I | 2796.00 | NIST | |
| I | 2737.00 | NIST | |
| I | 2771.00 | NIST | |
| Tboil | 729.99 | K | Joback Calculated Property |
| Tc | 979.95 | K | Joback Calculated Property |
| Tfus | 295.15 ± 1.50 | K | NIST |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.36; 530.18] | J/mol×K | [729.99; 979.95] |
|
| Cp,gas | 464.36 | J/mol×K | 729.99 | Joback Calculated Property |
| Cp,gas | 477.44 | J/mol×K | 771.65 | Joback Calculated Property |
| Cp,gas | 489.51 | J/mol×K | 813.31 | Joback Calculated Property |
| Cp,gas | 500.71 | J/mol×K | 854.97 | Joback Calculated Property |
| Cp,gas | 511.14 | J/mol×K | 896.63 | Joback Calculated Property |
| Cp,gas | 520.92 | J/mol×K | 938.29 | Joback Calculated Property |
| Cp,gas | 530.18 | J/mol×K | 979.95 | Joback Calculated Property |
| η | [0.0000120; 0.0002882] | Pa×s | [484.26; 729.99] |
|
| η | 0.0002882 | Pa×s | 484.26 | Joback Calculated Property |
| η | 0.0001379 | Pa×s | 525.22 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 566.17 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 607.12 | Joback Calculated Property |
| η | 0.0000264 | Pa×s | 648.08 | Joback Calculated Property |
| η | 0.0000174 | Pa×s | 689.04 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 729.99 | Joback Calculated Property |
| ΔvapH | 78.70 | kJ/mol | 314.50 | NIST |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-, phenylmethyl ester.
Sources
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