- InChI
- InChI=1S/C30H46O3/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3
- InChI Key
- HWCZIOQRLAPHDF-UHFFFAOYSA-N
- Formula
- C30H46O3
- SMILES
-
CC(C)(C)c1cc(COCc2cc(C(C)(C)C)
c(O)c(C(C)(C)C)c2)cc(C(C)(C)C) c1O - Molecular Weight1
- 454.68
- CAS
- 6922-60-7
- Other Names
-
- 3,5-di-tert-Butyl-4-hydroxybenzyl ether
- Phenol, 4,4'-[oxybis(methylene)]bis[2,6-bis(1,1-dimethylethyl)-
- 4,4'-[Oxybis(methylene)bis[2,6-bis(1,1-dimethylethyl)phenol]
- 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).
- ΔvapH° : Enthalpy of vaporization 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 | -684.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 8.005 | Crippen Calculated Property | |
| McVol | 403.650 | ml/mol | McGowan Calculated Property |
| Tboil | 635.44 | K | Relay (1.0) Calculated Property |
| Tfus | 411.63 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [1466.68; 1653.83] | J/mol×K | [1129.82; 1385.50] | 
|
| Cp,gas | 1466.68 | J/mol×K | 1129.82 | Joback Calculated Property |
| Cp,gas | 1493.84 | J/mol×K | 1172.43 | Joback Calculated Property |
| Cp,gas | 1522.11 | J/mol×K | 1215.05 | Joback Calculated Property |
| Cp,gas | 1551.88 | J/mol×K | 1257.66 | Joback Calculated Property |
| Cp,gas | 1583.51 | J/mol×K | 1300.27 | Joback Calculated Property |
| Cp,gas | 1617.37 | J/mol×K | 1342.89 | Joback Calculated Property |
| Cp,gas | 1653.83 | J/mol×K | 1385.50 | Joback Calculated Property |
| η | [3.9643264e-09; 0.0000001] | Pa×s | [786.13; 1129.82] |
|
| η | 0.0000001 | Pa×s | 786.13 | Joback Calculated Property |
| η | 6.1223195e-08 | Pa×s | 843.41 | Joback Calculated Property |
| η | 3.0809582e-08 | Pa×s | 900.69 | Joback Calculated Property |
| η | 1.6831418e-08 | Pa×s | 957.97 | Joback Calculated Property |
| η | 9.8442786e-09 | Pa×s | 1015.26 | Joback Calculated Property |
| η | 6.0971695e-09 | Pa×s | 1072.54 | Joback Calculated Property |
| η | 3.9643264e-09 | Pa×s | 1129.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-di-t-Butyl-4-hydroxybenzyl ether.
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
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