- InChI
- InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
- InChI Key
- XESZUVZBAMCAEJ-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC(C)(C)c1ccc(O)c(O)c1
- Molecular Weight1
- 166.22
- CAS
- 98-29-3
- Other Names
-
- 1,2-Benzenediol, 4-(1,1-dimethylethyl)-
- 1,2-Dihydroxy-4-tert-butylbenzene
- 4-TBC
- 4-t-Butyl-1,2-benzenediol
- 4-t-Butylcatechol
- 4-t-Butylpyrocatechol
- 4-tert-Butyl-1,2-benzenediol
- 4-tert-Butyl-1,2-dihydroxybenzene
- 4-tert-Butylcatechin
- 4-tert-Butylcatechol
- 4-tert-Butylpyrocatechol
- 4-tert-Butylpyrokatechin
- NSC 5310
- Pyrocatechol, 4-tert-butyl-
- Synox TBC
- p-t-Butyl catechol
- p-t-Butylpyrocatechol
- p-tert-Butylcatechol
- p-tert-Butylpyrocatechol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ω | 0.6542 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -5461.90 ± 0.90 | kJ/mol | NIST |
| ΔfG° | -160.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.70 ± 2.10 | kJ/mol | NIST |
| ΔfH°solid | -474.00 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 19.85 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [99.20; 99.30] | kJ/mol |
|
| ΔsubH° | 99.20 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | 99.30 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 99.30 ± 1.40 | kJ/mol | NIST |
| ΔsubH° | 99.30 | kJ/mol | NIST |
| ΔvapH° | 96.50 ± 2.80 | kJ/mol | NIST |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 139.740 | ml/mol | McGowan Calculated Property |
| Pc | 3700.00 ± 300.00 | kPa | NIST |
| ρc | 297.53 ± 14.96 | kg/m3 | NIST |
| Inp | 1493.00 | NIST | |
| Tboil | 558.20 | K | NIST |
| Tc | 775.00 ± 6.00 | K | NIST |
| Tfus | 373.43 | K | Relay (1.0) Calculated Property |
| Ttriple | 327.00 ± 2.00 | K | NIST |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.71; 429.06] | J/mol×K | [612.89; 856.37] |
|
| Cp,gas | 364.71 | J/mol×K | 612.89 | Joback Calculated Property |
| Cp,gas | 377.38 | J/mol×K | 653.47 | Joback Calculated Property |
| Cp,gas | 389.01 | J/mol×K | 694.05 | Joback Calculated Property |
| Cp,gas | 399.81 | J/mol×K | 734.63 | Joback Calculated Property |
| Cp,gas | 409.96 | J/mol×K | 775.21 | Joback Calculated Property |
| Cp,gas | 419.64 | J/mol×K | 815.79 | Joback Calculated Property |
| Cp,gas | 429.06 | J/mol×K | 856.37 | Joback Calculated Property |
| η | [0.0000048; 0.0001976] | Pa×s | [454.74; 612.89] |
|
| η | 0.0001976 | Pa×s | 454.74 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 481.10 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 507.46 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 533.82 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 560.17 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 586.53 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 612.89 | Joback Calculated Property |
| ΔfusH | 15.10 | kJ/mol | 330.40 | NIST |
| ΔsubH | 98.70 ± 0.90 | kJ/mol | 313.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [429.80; 588.51] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.58862e+01 | |||
| Coefficient B | -5.21116e+03 | |||
| Coefficient C | -9.57200e+01 | |||
| Temperature range, min. | 429.80 | |||
| Temperature range, max. | 588.51 | |||
| Pvap | 1.33 | kPa | 429.80 | Calculated Property |
| Pvap | 2.91 | kPa | 447.43 | Calculated Property |
| Pvap | 5.91 | kPa | 465.07 | Calculated Property |
| Pvap | 11.25 | kPa | 482.70 | Calculated Property |
| Pvap | 20.23 | kPa | 500.34 | Calculated Property |
| Pvap | 34.63 | kPa | 517.97 | Calculated Property |
| Pvap | 56.80 | kPa | 535.61 | Calculated Property |
| Pvap | 89.68 | kPa | 553.24 | Calculated Property |
| Pvap | 136.86 | kPa | 570.88 | Calculated Property |
| Pvap | 202.63 | kPa | 588.51 | Calculated Property |
Similar Compounds
Find more compounds similar to p-tert.-Butylcatechol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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