- InChI
- InChI=1S/C16H24O3/c1-15(2,3)10-8-11(14(18)19-7)13(17)12(9-10)16(4,5)6/h8-9,17H,1-7H3
- InChI Key
- QSGONIQEKLJPGV-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
-
COC(=O)c1cc(C(C)(C)C)cc(C(C)(C
)C)c1O - Molecular Weight1
- 264.36
- CAS
- 15018-03-8
- Other Names
-
- Methyl 3,5-di-tert-butylsalicylate
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -651.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.78 | kJ/mol | Joback Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.774 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Tboil | 557.06 | K | Relay (1.0) Calculated Property |
| Tfus | 350.65 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.36; 740.88] | J/mol×K | [734.70; 958.74] | 
|
| Cp,gas | 657.36 | J/mol×K | 734.70 | Joback Calculated Property |
| Cp,gas | 673.55 | J/mol×K | 772.04 | Joback Calculated Property |
| Cp,gas | 688.67 | J/mol×K | 809.38 | Joback Calculated Property |
| Cp,gas | 702.85 | J/mol×K | 846.72 | Joback Calculated Property |
| Cp,gas | 716.20 | J/mol×K | 884.06 | Joback Calculated Property |
| Cp,gas | 728.84 | J/mol×K | 921.40 | Joback Calculated Property |
| Cp,gas | 740.88 | J/mol×K | 958.74 | Joback Calculated Property |
| η | [0.0000056; 0.0002252] | Pa×s | [480.43; 734.70] |
|
| η | 0.0002252 | Pa×s | 480.43 | Joback Calculated Property |
| η | 0.0000947 | Pa×s | 522.81 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 565.19 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 607.57 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 649.94 | Joback Calculated Property |
| η | 0.0000086 | Pa×s | 692.32 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 734.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 3,5-di-t-butylsalicylate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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