- InChI
- InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
- InChI Key
- DUKPKQFHJQGTGU-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CCCCCCOC(=O)c1ccccc1O
- Molecular Weight1
- 222.28
- CAS
- 6259-76-3
- Other Names
-
- Benzoic acid, 2-hydroxy-, hexyl ester
- Hexyl salicylate
- Salicylic acid, hexyl ester
- Hexyl 2-hydroxybenzoate
- Hexyl salicilate
- 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° | -217.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 3.129 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | [1639.00; 1684.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1651.50 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1683.00 | NIST | |
| Inp | 1682.10 | NIST | |
| Inp | 1656.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Inp | 1664.00 | NIST | |
| I | [2171.00; 2229.00] |
|
|
| I | 2171.00 | NIST | |
| I | 2203.00 | NIST | |
| I | 2208.00 | NIST | |
| I | 2206.00 | NIST | |
| I | 2175.00 | NIST | |
| I | 2221.00 | NIST | |
| I | 2208.00 | NIST | |
| I | 2229.00 | NIST | |
| I | 2208.00 | NIST | |
| Tboil | 680.43 | K | Joback Calculated Property |
| Tc | 892.73 | K | Joback Calculated Property |
| Tfus | 446.57 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.06; 572.26] | J/mol×K | [680.43; 892.73] |
|
| Cp,gas | 499.06 | J/mol×K | 680.43 | Joback Calculated Property |
| Cp,gas | 513.11 | J/mol×K | 715.81 | Joback Calculated Property |
| Cp,gas | 526.34 | J/mol×K | 751.20 | Joback Calculated Property |
| Cp,gas | 538.80 | J/mol×K | 786.58 | Joback Calculated Property |
| Cp,gas | 550.57 | J/mol×K | 821.96 | Joback Calculated Property |
| Cp,gas | 561.70 | J/mol×K | 857.35 | Joback Calculated Property |
| Cp,gas | 572.26 | J/mol×K | 892.73 | Joback Calculated Property |
| η | [0.0000166; 0.0005088] | Pa×s | [446.57; 680.43] |
|
| η | 0.0005088 | Pa×s | 446.57 | Joback Calculated Property |
| η | 0.0002287 | Pa×s | 485.55 | Joback Calculated Property |
| η | 0.0001158 | Pa×s | 524.52 | Joback Calculated Property |
| η | 0.0000644 | Pa×s | 563.50 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 602.48 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 641.45 | Joback Calculated Property |
| η | 0.0000166 | Pa×s | 680.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to n-Hexyl salicylate.
Sources
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