- InChI
- InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3
- InChI Key
- CYEKUDPFXBLGHH-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CC(C)(C)c1cccc(O)c1
- Molecular Weight1
- 150.22
- CAS
- 585-34-2
- Other Names
-
- 3-t-Butylphenol
- 3-tert-Butylphenol
- Phenol, 3-(1,1-dimethylethyl)-
- Phenol, 3-tert-butyl-
- m-tert-Butylphenol
- 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).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | -5661.00 | kJ/mol | NIST |
| ΔfG° | -6.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-185.20; -184.00] | kJ/mol |
|
| ΔfH°gas | -185.20 | kJ/mol | NIST |
| ΔfH°gas | -184.00 | kJ/mol | NIST |
| ΔfH°solid | -280.00 | kJ/mol | NIST |
| ΔfusH° | 14.07 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [86.00; 96.00] | kJ/mol |
|
| ΔsubH° | 88.90 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 86.00 ± 0.50 | kJ/mol | NIST |
| ΔsubH° | 92.05 | kJ/mol | NIST |
| ΔsubH° | 96.00 | kJ/mol | NIST |
| ΔvapH° | 71.30 ± 0.80 | kJ/mol | NIST |
| IE | 8.40 | eV | NIST |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 2.690 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3547.31 | kPa | Joback Calculated Property |
| Inp | [1267.00; 1296.70] |
|
|
| Inp | 1294.70 | NIST | |
| Inp | 1294.80 | NIST | |
| Inp | 1296.70 | NIST | |
| Inp | 1267.00 | NIST | |
| Inp | 1294.70 | NIST | |
| Inp | 1267.00 | NIST | |
| Tboil | 532.27 | K | Joback Calculated Property |
| Tc | 765.16 | K | Joback Calculated Property |
| Tfus | 343.02 | K | Joback Calculated Property |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.96; 388.58] | J/mol×K | [532.27; 765.16] |
|
| Cp,gas | 314.96 | J/mol×K | 532.27 | Joback Calculated Property |
| Cp,gas | 329.85 | J/mol×K | 571.08 | Joback Calculated Property |
| Cp,gas | 343.53 | J/mol×K | 609.90 | Joback Calculated Property |
| Cp,gas | 356.13 | J/mol×K | 648.71 | Joback Calculated Property |
| Cp,gas | 367.75 | J/mol×K | 687.53 | Joback Calculated Property |
| Cp,gas | 378.53 | J/mol×K | 726.34 | Joback Calculated Property |
| Cp,gas | 388.58 | J/mol×K | 765.16 | Joback Calculated Property |
| η | [0.0000583; 0.0038345] | Pa×s | [343.02; 532.27] |
|
| η | 0.0038345 | Pa×s | 343.02 | Joback Calculated Property |
| η | 0.0014227 | Pa×s | 374.56 | Joback Calculated Property |
| η | 0.0006157 | Pa×s | 406.10 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 437.64 | Joback Calculated Property |
| η | 0.0001617 | Pa×s | 469.19 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 500.73 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 532.27 | Joback Calculated Property |
| ΔsubH | 70.70 | kJ/mol | 282.50 | NIST |
| ΔvapH | [49.90; 69.10] | kJ/mol | [334.00; 457.50] |
|
| ΔvapH | 69.10 ± 0.80 | kJ/mol | 334.00 | NIST |
| ΔvapH | 62.40 | kJ/mol | 457.50 | NIST |
| ΔvapH | 56.60 | kJ/mol | 457.50 | NIST |
| ΔvapH | 54.40 | kJ/mol | 457.50 | NIST |
| ΔvapH | 49.90 | kJ/mol | 457.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [390.52; 542.50] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54501e+01 | |||
| Coefficient B | -4.65055e+03 | |||
| Coefficient C | -8.38060e+01 | |||
| Temperature range, min. | 390.52 | |||
| Temperature range, max. | 542.50 | |||
| Pvap | 1.33 | kPa | 390.52 | Calculated Property |
| Pvap | 2.94 | kPa | 407.41 | Calculated Property |
| Pvap | 6.00 | kPa | 424.29 | Calculated Property |
| Pvap | 11.44 | kPa | 441.18 | Calculated Property |
| Pvap | 20.58 | kPa | 458.07 | Calculated Property |
| Pvap | 35.18 | kPa | 474.95 | Calculated Property |
| Pvap | 57.55 | kPa | 491.84 | Calculated Property |
| Pvap | 90.52 | kPa | 508.73 | Calculated Property |
| Pvap | 137.53 | kPa | 525.61 | Calculated Property |
| Pvap | 202.63 | kPa | 542.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, m-tert-butyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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