- InChI
- InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
- InChI Key
- PTXDBYSCVQQBNF-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CC(C)COC(=O)c1ccccc1O
- Molecular Weight1
- 194.23
- CAS
- 87-19-4
- Other Names
-
- Salicylic acid, isobutyl ester
- Isobutyl o-hydroxybenzoate
- Isobutyl salicylate
- 2-Isobutoxycarbonylphenol
- 2-Methylpropyl o-hydroxybenzoate
- Orchindone
- 2-Methylpropyl salicylate
- Salicylic acid, 2-methylpropyl 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.
- 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° | -236.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -461.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.14 | kJ/mol | Joback Calculated Property |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.205 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Inp | [1398.00; 1442.00] |
|
|
| Inp | 1410.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1398.00 | NIST | |
| Inp | 1410.00 | NIST | |
| Inp | 1398.00 | NIST | |
| Inp | 1442.00 | NIST | |
| I | [1896.00; 1924.00] |
|
|
| I | 1896.00 | NIST | |
| I | 1896.00 | NIST | |
| I | 1924.00 | NIST | |
| Tboil | 634.23 | K | Joback Calculated Property |
| Tc | 858.14 | K | Joback Calculated Property |
| Tfus | 409.03 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.03; 466.52] | J/mol×K | [634.23; 858.14] |
|
| Cp,gas | 399.03 | J/mol×K | 634.23 | Joback Calculated Property |
| Cp,gas | 412.17 | J/mol×K | 671.55 | Joback Calculated Property |
| Cp,gas | 424.47 | J/mol×K | 708.87 | Joback Calculated Property |
| Cp,gas | 435.99 | J/mol×K | 746.18 | Joback Calculated Property |
| Cp,gas | 446.79 | J/mol×K | 783.50 | Joback Calculated Property |
| Cp,gas | 456.95 | J/mol×K | 820.82 | Joback Calculated Property |
| Cp,gas | 466.52 | J/mol×K | 858.14 | Joback Calculated Property |
| η | [0.0000240; 0.0009998] | Pa×s | [409.03; 634.23] |
|
| η | 0.0009998 | Pa×s | 409.03 | Joback Calculated Property |
| η | 0.0004133 | Pa×s | 446.56 | Joback Calculated Property |
| η | 0.0001960 | Pa×s | 484.10 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 521.63 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 559.16 | Joback Calculated Property |
| η | 0.0000367 | Pa×s | 596.70 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 634.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-hydroxy-, 2-methylpropyl ester.
Sources
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