- InChI
- InChI=1S/C12H18O/c1-2-3-4-5-8-11-9-6-7-10-12(11)13/h6-7,9-10,13H,2-5,8H2,1H3
- InChI Key
- ABMULKFGWTYIIK-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CCCCCCc1ccccc1O
- Molecular Weight1
- 178.27
- CAS
- 3226-32-2
- Other Names
-
- 2-Hexylphenol
- Phenol, 2-hexyl-
- Phenol, o-hexyl-
- o-Hexylphenol
- 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° | 7.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -231.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.50 | Crippen Calculated Property | |
| logPoct/wat | 3.515 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2799.47 | kPa | Joback Calculated Property |
| Tboil | 581.26 | K | Joback Calculated Property |
| Tc | 792.37 | K | Joback Calculated Property |
| Tfus | 363.14 | K | Joback Calculated Property |
| Vc | 0.566 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.33; 484.37] | J/mol×K | [581.26; 792.37] | 
|
| Cp,gas | 405.33 | J/mol×K | 581.26 | Joback Calculated Property |
| Cp,gas | 420.60 | J/mol×K | 616.44 | Joback Calculated Property |
| Cp,gas | 434.94 | J/mol×K | 651.63 | Joback Calculated Property |
| Cp,gas | 448.40 | J/mol×K | 686.81 | Joback Calculated Property |
| Cp,gas | 461.08 | J/mol×K | 722.00 | Joback Calculated Property |
| Cp,gas | 473.05 | J/mol×K | 757.18 | Joback Calculated Property |
| Cp,gas | 484.37 | J/mol×K | 792.37 | Joback Calculated Property |
| η | [0.0000382; 0.0023516] | Pa×s | [363.14; 581.26] |
|
| η | 0.0023516 | Pa×s | 363.14 | Joback Calculated Property |
| η | 0.0008660 | Pa×s | 399.49 | Joback Calculated Property |
| η | 0.0003767 | Pa×s | 435.85 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 472.20 | Joback Calculated Property |
| η | 0.0001019 | Pa×s | 508.55 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 544.91 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 581.26 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [399.42; 566.44] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47121e+01 | |||
| Coefficient B | -4.50797e+03 | |||
| Coefficient C | -8.68980e+01 | |||
| Temperature range, min. | 399.42 | |||
| Temperature range, max. | 566.44 | |||
| Pvap | 1.33 | kPa | 399.42 | Calculated Property |
| Pvap | 2.99 | kPa | 417.98 | Calculated Property |
| Pvap | 6.16 | kPa | 436.54 | Calculated Property |
| Pvap | 11.81 | kPa | 455.09 | Calculated Property |
| Pvap | 21.25 | kPa | 473.65 | Calculated Property |
| Pvap | 36.23 | kPa | 492.21 | Calculated Property |
| Pvap | 58.96 | kPa | 510.77 | Calculated Property |
| Pvap | 92.10 | kPa | 529.32 | Calculated Property |
| Pvap | 138.81 | kPa | 547.88 | Calculated Property |
| Pvap | 202.66 | kPa | 566.44 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-n-Hexylphenol.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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