- InChI
- InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
- InChI Key
- SLUKQUGVTITNSY-UHFFFAOYSA-N
- Formula
- C15H24O2
- SMILES
-
COc1cc(C(C)(C)C)c(O)c(C(C)(C)C
)c1 - Molecular Weight1
- 236.35
- CAS
- 489-01-0
- Other Names
-
- 3,5-di-t-Butyl-4-hydroxyanisole
- Phenol, 2,6-bis(1,1-dimethylethyl)-4-methoxy-
- Phenol, 2,6-di-tert-butyl-4-methoxy-
- Topanol 354
- 2,6-Bis(1,1-dimethylethyl)-4-methoxyphenol
- 2,6-Di-tert-butyl-4-methoxyphenol
- Phenol, 4-methoxy, 2,6-bis-(1,1-dimethylethyl)
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- 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° | -85.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.42 | kJ/mol | Joback Calculated Property |
| log10WS | -3.77 | Crippen Calculated Property | |
| logPoct/wat | 3.996 | Crippen Calculated Property | |
| McVol | 210.190 | ml/mol | McGowan Calculated Property |
| Pc | 2090.75 | kPa | Joback Calculated Property |
| Inp | 1527.00 | NIST | |
| Tboil | 675.82 | K | Joback Calculated Property |
| Tc | 899.57 | K | Joback Calculated Property |
| Tfus | 449.06 | K | Joback Calculated Property |
| Vc | 0.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.88; 679.82] | J/mol×K | [675.82; 899.57] | 
|
| Cp,gas | 589.88 | J/mol×K | 675.82 | Joback Calculated Property |
| Cp,gas | 607.26 | J/mol×K | 713.11 | Joback Calculated Property |
| Cp,gas | 623.52 | J/mol×K | 750.40 | Joback Calculated Property |
| Cp,gas | 638.80 | J/mol×K | 787.69 | Joback Calculated Property |
| Cp,gas | 653.20 | J/mol×K | 824.99 | Joback Calculated Property |
| Cp,gas | 666.84 | J/mol×K | 862.28 | Joback Calculated Property |
| Cp,gas | 679.82 | J/mol×K | 899.57 | Joback Calculated Property |
| η | [0.0000096; 0.0003388] | Pa×s | [449.06; 675.82] |
|
| η | 0.0003388 | Pa×s | 449.06 | Joback Calculated Property |
| η | 0.0001485 | Pa×s | 486.85 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 524.65 | Joback Calculated Property |
| η | 0.0000398 | Pa×s | 562.44 | Joback Calculated Property |
| η | 0.0000233 | Pa×s | 600.23 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 638.03 | Joback Calculated Property |
| η | 0.0000096 | Pa×s | 675.82 | Joback Calculated Property |
| ΔfusH | 26.90 | kJ/mol | 374.40 | NIST |
Similar Compounds
Find more compounds similar to 3,5-di-tert-Butyl-4-hydroxyanisole.
Sources
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