- InChI
- InChI=1S/C14H22O/c1-5-10(3)12-8-7-9-13(14(12)15)11(4)6-2/h7-11,15H,5-6H2,1-4H3
- InChI Key
- FHTGJZOULSYEOB-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCC(C)c1cccc(C(C)CC)c1O
- Molecular Weight1
- 206.32
- CAS
- 5510-99-6
- Other Names
-
- 2,6-Di-sec-butylfenol
- 2,6-Di-sec-butylphenol
- Phenol, 2,6-di-sec-butyl-
- di-sec-butylphenol, mixed isomers
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6227 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.419 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| Tboil | 530.70 | K | NIST |
| Tc | 765.69 | K | Relay (1.0) Calculated Property |
| Tfus | 322.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [505.95; 593.96] | J/mol×K | [631.12; 844.75] | 
|
| Cp,gas | 505.95 | J/mol×K | 631.12 | Joback Calculated Property |
| Cp,gas | 522.82 | J/mol×K | 666.72 | Joback Calculated Property |
| Cp,gas | 538.70 | J/mol×K | 702.33 | Joback Calculated Property |
| Cp,gas | 553.68 | J/mol×K | 737.93 | Joback Calculated Property |
| Cp,gas | 567.84 | J/mol×K | 773.54 | Joback Calculated Property |
| Cp,gas | 581.24 | J/mol×K | 809.14 | Joback Calculated Property |
| Cp,gas | 593.96 | J/mol×K | 844.75 | Joback Calculated Property |
| η | [0.0000203; 0.0023539] | Pa×s | [368.20; 631.12] |
|
| η | 0.0023539 | Pa×s | 368.20 | Joback Calculated Property |
| η | 0.0006999 | Pa×s | 412.02 | Joback Calculated Property |
| η | 0.0002627 | Pa×s | 455.84 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 499.66 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 543.48 | Joback Calculated Property |
| η | 0.0000334 | Pa×s | 587.30 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 631.12 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [404.52; 560.89] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54589e+01 | |||
| Coefficient B | -4.79184e+03 | |||
| Coefficient C | -8.86710e+01 | |||
| Temperature range, min. | 404.52 | |||
| Temperature range, max. | 560.89 | |||
| Pvap | 1.33 | kPa | 404.52 | Calculated Property |
| Pvap | 2.94 | kPa | 421.89 | Calculated Property |
| Pvap | 6.00 | kPa | 439.27 | Calculated Property |
| Pvap | 11.43 | kPa | 456.64 | Calculated Property |
| Pvap | 20.57 | kPa | 474.02 | Calculated Property |
| Pvap | 35.17 | kPa | 491.39 | Calculated Property |
| Pvap | 57.53 | kPa | 508.77 | Calculated Property |
| Pvap | 90.50 | kPa | 526.14 | Calculated Property |
| Pvap | 137.52 | kPa | 543.52 | Calculated Property |
| Pvap | 202.63 | kPa | 560.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,6-bis(1-methylpropyl)-.
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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