- InChI
- InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
- InChI Key
- YNMSDIQQNIRGDP-UHFFFAOYSA-N
- Formula
- C15H14O3
- SMILES
- O=C(OCCc1ccccc1)c1ccccc1O
- Molecular Weight1
- 242.27
- CAS
- 87-22-9
- Other Names
-
- «beta»-Phenylethyl salicylate
- Benzoic acid, 2-hydroxy-, 2-phenylethyl ester
- Benzylcarbinyl salicylate
- Phenethyl salicylate
- Phenylethyl salicyalte
- Salicylic acid, phenethyl ester
- 2-Phenylethyl 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).
- 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° | -88.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -301.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 188.000 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Inp | [1930.00; 1987.00] |
|
|
| Inp | 1934.00 | NIST | |
| Inp | 1987.00 | NIST | |
| Inp | 1930.00 | NIST | |
| Inp | 1966.00 | NIST | |
| Tboil | 752.87 | K | Joback Calculated Property |
| Tc | 997.57 | K | Joback Calculated Property |
| Tfus | 495.53 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.53; 585.51] | J/mol×K | [752.87; 997.57] |
|
| Cp,gas | 516.53 | J/mol×K | 752.87 | Joback Calculated Property |
| Cp,gas | 530.11 | J/mol×K | 793.65 | Joback Calculated Property |
| Cp,gas | 542.69 | J/mol×K | 834.44 | Joback Calculated Property |
| Cp,gas | 554.41 | J/mol×K | 875.22 | Joback Calculated Property |
| Cp,gas | 565.37 | J/mol×K | 916.00 | Joback Calculated Property |
| Cp,gas | 575.70 | J/mol×K | 956.78 | Joback Calculated Property |
| Cp,gas | 585.51 | J/mol×K | 997.57 | Joback Calculated Property |
| η | [0.0000098; 0.0002445] | Pa×s | [495.53; 752.87] |
|
| η | 0.0002445 | Pa×s | 495.53 | Joback Calculated Property |
| η | 0.0001154 | Pa×s | 538.42 | Joback Calculated Property |
| η | 0.0000609 | Pa×s | 581.31 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 624.20 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 667.09 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 709.98 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 752.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylethyl salicylate.
Sources
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