- InChI
- InChI=1S/C16H26O/c1-7-15(3,4)12-9-10-14(17)13(11-12)16(5,6)8-2/h9-11,17H,7-8H2,1-6H3
- InChI Key
- WMVJWKURWRGJCI-UHFFFAOYSA-N
- Formula
- C16H26O
- SMILES
-
CCC(C)(C)c1ccc(O)c(C(C)(C)CC)c
1 - Molecular Weight1
- 234.38
- CAS
- 120-95-6
- Other Names
-
- 2,4-Bis(1,1-dimethylpropyl)phenol
- 2,4-Di-tert-amylphenol
- 2,4-Di-tert-pentylphenol
- 2,4-di-t-Pentylphenol
- 2,4-di-tert-Pentylphenyl
- Di-tert-amylphenol
- Phenol, 2,4-di-tert-pentyl-
- Prodox 156
- 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).
- Pvap : Vapor 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° | 37.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.48 | Crippen Calculated Property | |
| logPoct/wat | 4.767 | Crippen Calculated Property | |
| McVol | 218.410 | ml/mol | McGowan Calculated Property |
| Pc | 1973.55 | kPa | Joback Calculated Property |
| Tboil | 671.30 | K | Joback Calculated Property |
| Tc | 893.07 | K | Joback Calculated Property |
| Tfus | 425.58 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [616.08; 711.15] | J/mol×K | [671.30; 893.07] | 
|
| Cp,gas | 616.08 | J/mol×K | 671.30 | Joback Calculated Property |
| Cp,gas | 634.47 | J/mol×K | 708.26 | Joback Calculated Property |
| Cp,gas | 651.66 | J/mol×K | 745.22 | Joback Calculated Property |
| Cp,gas | 667.78 | J/mol×K | 782.18 | Joback Calculated Property |
| Cp,gas | 682.98 | J/mol×K | 819.14 | Joback Calculated Property |
| Cp,gas | 697.39 | J/mol×K | 856.11 | Joback Calculated Property |
| Cp,gas | 711.15 | J/mol×K | 893.07 | Joback Calculated Property |
| η | [0.0000113; 0.0006998] | Pa×s | [425.58; 671.30] |
|
| η | 0.0006998 | Pa×s | 425.58 | Joback Calculated Property |
| η | 0.0002604 | Pa×s | 466.53 | Joback Calculated Property |
| η | 0.0001136 | Pa×s | 507.49 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 548.44 | Joback Calculated Property |
| η | 0.0000306 | Pa×s | 589.39 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 630.35 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 671.30 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [416.12; 614.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.34889e+01 | |||
| Coefficient B | -4.26955e+03 | |||
| Coefficient C | -9.27020e+01 | |||
| Temperature range, min. | 416.12 | |||
| Temperature range, max. | 614.81 | |||
| Pvap | 1.33 | kPa | 416.12 | Calculated Property |
| Pvap | 3.10 | kPa | 438.20 | Calculated Property |
| Pvap | 6.51 | kPa | 460.27 | Calculated Property |
| Pvap | 12.57 | kPa | 482.35 | Calculated Property |
| Pvap | 22.62 | kPa | 504.43 | Calculated Property |
| Pvap | 38.35 | kPa | 526.50 | Calculated Property |
| Pvap | 61.77 | kPa | 548.58 | Calculated Property |
| Pvap | 95.20 | kPa | 570.66 | Calculated Property |
| Pvap | 141.23 | kPa | 592.73 | Calculated Property |
| Pvap | 202.64 | kPa | 614.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,4-bis(1,1-dimethylpropyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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