- InChI
- InChI=1S/C14H22O3/c1-13(2,3)8-7-9(14(4,5)6)11(16)12(17)10(8)15/h7,15-17H,1-6H3
- InChI Key
- NRVDOWRFIAEMPS-UHFFFAOYSA-N
- Formula
- C14H22O3
- SMILES
-
CC(C)(C)c1cc(C(C)(C)C)c(O)c(O)
c1O - Molecular Weight1
- 238.32
- CAS
- 3934-77-8
- Other Names
-
- 4,6-di-tert-Butylpyrogallol
- 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).
- 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° | -288.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.15 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 3.398 | Crippen Calculated Property | |
| McVol | 201.970 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 786.78 | K | Joback Calculated Property |
| Tc | 1031.69 | K | Joback Calculated Property |
| Tfus | 626.48 | K | Joback Calculated Property |
| Vc | 0.588 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.51; 702.55] | J/mol×K | [786.78; 1031.69] | 
|
| Cp,gas | 615.51 | J/mol×K | 786.78 | Joback Calculated Property |
| Cp,gas | 629.72 | J/mol×K | 827.60 | Joback Calculated Property |
| Cp,gas | 643.67 | J/mol×K | 868.42 | Joback Calculated Property |
| Cp,gas | 657.64 | J/mol×K | 909.24 | Joback Calculated Property |
| Cp,gas | 671.92 | J/mol×K | 950.06 | Joback Calculated Property |
| Cp,gas | 686.79 | J/mol×K | 990.87 | Joback Calculated Property |
| Cp,gas | 702.55 | J/mol×K | 1031.69 | Joback Calculated Property |
| η | [3.1531973e-08; 0.0000007] | Pa×s | [626.48; 786.78] |
|
| η | 0.0000007 | Pa×s | 626.48 | Joback Calculated Property |
| η | 0.0000004 | Pa×s | 653.20 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 679.91 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 706.63 | Joback Calculated Property |
| η | 7.6925966e-08 | Pa×s | 733.35 | Joback Calculated Property |
| η | 4.8484705e-08 | Pa×s | 760.06 | Joback Calculated Property |
| η | 3.1531973e-08 | Pa×s | 786.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,6-di-t-Butylpyrogallol.
Sources
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