- InChI
- InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
- InChI Key
- PMGCQNGBLMMXEW-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- CC(C)CCOC(=O)c1ccccc1O
- Molecular Weight1
- 208.25
- CAS
- 87-20-7
- Other Names
-
- 3-Methylbutyl 2-hydroxybenzoate
- 3-methylbutyl salicylate
- 34377-38-3
- Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
- Benzoic acid, o-hydroxy, 3-methylbutyl ester
- Isoamyl o-hydroxybenzoate
- Isoamylester kyseliny salicylove
- Isopentyl salicylate
- Isopentyl-2-hydroxyphenyl methanoate
- NSC 7952
- Orchidee
- Salicylic acid, 3-methylbutyl ester
- Salicylic acid, isopentyl ester
- Sanfoin
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -228.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Aq. Sol... | |
| logPoct/wat | 2.595 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | [1505.70; 1556.00] |
|
|
| Inp | 1515.00 | NIST | |
| Inp | 1515.40 | NIST | |
| Inp | 1556.00 | NIST | |
| Inp | 1534.00 | NIST | |
| Inp | 1505.70 | NIST | |
| Inp | 1506.70 | NIST | |
| Inp | 1535.00 | NIST | |
| Inp | 1538.00 | NIST | |
| Inp | 1542.00 | NIST | |
| Inp | 1506.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1528.00 | NIST | |
| I | [2021.00; 2037.10] |
|
|
| I | 2032.90 | NIST | |
| I | 2037.10 | NIST | |
| I | 2035.00 | NIST | |
| I | 2024.00 | NIST | |
| I | 2021.00 | NIST | |
| Tboil | 657.11 | K | Joback Calculated Property |
| Tc | 877.01 | K | Joback Calculated Property |
| Tfus | 420.30 | K | Joback Calculated Property |
| Vc | 0.584 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [448.59; 519.75] | J/mol×K | [657.11; 877.01] |
|
| Cp,gas | 448.59 | J/mol×K | 657.11 | Joback Calculated Property |
| Cp,gas | 462.38 | J/mol×K | 693.76 | Joback Calculated Property |
| Cp,gas | 475.31 | J/mol×K | 730.41 | Joback Calculated Property |
| Cp,gas | 487.44 | J/mol×K | 767.06 | Joback Calculated Property |
| Cp,gas | 498.85 | J/mol×K | 803.71 | Joback Calculated Property |
| Cp,gas | 509.60 | J/mol×K | 840.36 | Joback Calculated Property |
| Cp,gas | 519.75 | J/mol×K | 877.01 | Joback Calculated Property |
| η | [0.0000192; 0.0008293] | Pa×s | [420.30; 657.11] |
|
| η | 0.0008293 | Pa×s | 420.30 | Joback Calculated Property |
| η | 0.0003381 | Pa×s | 459.77 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 499.24 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 538.71 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 578.17 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 617.64 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 657.11 | Joback Calculated Property |
| ΔvapH | 73.00 | kJ/mol | 308.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 424.70 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to Isoamyl salicylate.
Sources
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