- InChI
- InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3
- InChI Key
- PJZLSMMERMMQBJ-UHFFFAOYSA-N
- Formula
- C14H22O2
- SMILES
-
CC(C)(C)c1cc(O)c(O)c(C(C)(C)C)
c1 - Molecular Weight1
- 222.32
- CAS
- 1020-31-1
- Other Names
-
- 1,2-Benzenediol, 3,5-di(1,1-dimethylethyl)-
- 3,5-di-tert-Butylcatechol
- 3,5-di-t-Butylcatechol
- Pyrocatechol, 3,5-di-tert-butyl-
- 3,5-Di-tert-butylpyrocatechol
- 4,6-Di-tert-butylpyrocatechol
- 3,5-Di-tert-butyl-1,2-benzenediol
- 3,5-Bis(1,1-dimethylethyl)catechol
- NSC 59767
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔcH°solid | -8082.70 ± 1.80 | kJ/mol | NIST |
| ΔfG° | -133.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.50 ± 2.70 | kJ/mol | NIST |
| ΔfH°solid | -570.60 ± 2.60 | kJ/mol | NIST |
| ΔfusH° | 22.41 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [100.10; 104.70] | kJ/mol |
|
| ΔsubH° | 104.70 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 100.10 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 100.10 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 100.10 | kJ/mol | NIST |
| ΔvapH° | 73.13 | kJ/mol | Joback Calculated Property |
| log10WS | -3.19 | Crippen Calculated Property | |
| logPoct/wat | 3.693 | Crippen Calculated Property | |
| McVol | 196.100 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | 1683.00 | NIST | |
| Tboil | 706.16 | K | Joback Calculated Property |
| Tc | 944.46 | K | Joback Calculated Property |
| Tfus | 514.76 | K | Joback Calculated Property |
| Vc | 0.622 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.27; 649.38] | J/mol×K | [706.16; 944.46] |
|
| Cp,gas | 566.27 | J/mol×K | 706.16 | Joback Calculated Property |
| Cp,gas | 581.71 | J/mol×K | 745.88 | Joback Calculated Property |
| Cp,gas | 596.24 | J/mol×K | 785.59 | Joback Calculated Property |
| Cp,gas | 610.05 | J/mol×K | 825.31 | Joback Calculated Property |
| Cp,gas | 623.37 | J/mol×K | 865.02 | Joback Calculated Property |
| Cp,gas | 636.41 | J/mol×K | 904.74 | Joback Calculated Property |
| Cp,gas | 649.38 | J/mol×K | 944.46 | Joback Calculated Property |
| η | [0.0000010; 0.0000430] | Pa×s | [514.76; 706.16] |
|
| η | 0.0000430 | Pa×s | 514.76 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 546.66 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 578.56 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 610.46 | Joback Calculated Property |
| η | 0.0000028 | Pa×s | 642.36 | Joback Calculated Property |
| η | 0.0000016 | Pa×s | 674.26 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 706.16 | Joback Calculated Property |
| ΔfusH | 24.10 | kJ/mol | 372.80 | NIST |
| ΔsubH | 103.70 ± 0.50 | kJ/mol | 330.00 | NIST |
Similar Compounds
Find more compounds similar to 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-.
Sources
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