- InChI
- InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3
- InChI Key
- WCJLCOAEJIHPCW-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CCCCCCCCOC(=O)c1ccccc1O
- Molecular Weight1
- 250.33
- CAS
- 6969-49-9
- Other Names
-
- Benzoic acid, 2-hydroxy-, octyl ester
- Salicylic acid, octyl ester
- octyl 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.
- 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° | -200.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.910 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | [1895.00; 1895.00] |
|
|
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| Inp | 1895.00 | NIST | |
| I | 2435.00 | NIST | |
| Tboil | 726.19 | K | Joback Calculated Property |
| Tc | 932.89 | K | Joback Calculated Property |
| Tfus | 469.11 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.97; 683.70] | J/mol×K | [726.19; 932.89] |
|
| Cp,gas | 604.97 | J/mol×K | 726.19 | Joback Calculated Property |
| Cp,gas | 619.96 | J/mol×K | 760.64 | Joback Calculated Property |
| Cp,gas | 634.13 | J/mol×K | 795.09 | Joback Calculated Property |
| Cp,gas | 647.52 | J/mol×K | 829.54 | Joback Calculated Property |
| Cp,gas | 660.20 | J/mol×K | 863.99 | Joback Calculated Property |
| Cp,gas | 672.24 | J/mol×K | 898.44 | Joback Calculated Property |
| Cp,gas | 683.70 | J/mol×K | 932.89 | Joback Calculated Property |
| η | [0.0000108; 0.0003563] | Pa×s | [469.11; 726.19] |
|
| η | 0.0003563 | Pa×s | 469.11 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 511.96 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 554.80 | Joback Calculated Property |
| η | 0.0000425 | Pa×s | 597.65 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 640.50 | Joback Calculated Property |
| η | 0.0000161 | Pa×s | 683.34 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 726.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Salicylic acid, n-octyl ester.
Sources
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