- InChI
- InChI=1S/C12H18O/c1-3-7-10(4-2)11-8-5-6-9-12(11)13/h5-6,8-10,13H,3-4,7H2,1-2H3
- InChI Key
- UVOWWKIXBXXDMK-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CCCC(CC)c1ccccc1O
- Molecular Weight1
- 178.27
- CAS
- 91763-74-5
- 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).
- 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° | 5.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -237.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 3.686 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Tboil | 580.82 | K | Joback Calculated Property |
| Tc | 796.40 | K | Joback Calculated Property |
| Tfus | 348.14 | K | Joback Calculated Property |
| Vc | 0.559 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.71; 486.39] | J/mol×K | [580.82; 796.40] | 
|
| Cp,gas | 405.71 | J/mol×K | 580.82 | Joback Calculated Property |
| Cp,gas | 421.37 | J/mol×K | 616.75 | Joback Calculated Property |
| Cp,gas | 436.03 | J/mol×K | 652.68 | Joback Calculated Property |
| Cp,gas | 449.78 | J/mol×K | 688.61 | Joback Calculated Property |
| Cp,gas | 462.71 | J/mol×K | 724.54 | Joback Calculated Property |
| Cp,gas | 474.88 | J/mol×K | 760.47 | Joback Calculated Property |
| Cp,gas | 486.39 | J/mol×K | 796.40 | Joback Calculated Property |
| η | [0.0000359; 0.0036794] | Pa×s | [348.14; 580.82] |
|
| η | 0.0036794 | Pa×s | 348.14 | Joback Calculated Property |
| η | 0.0011551 | Pa×s | 386.92 | Joback Calculated Property |
| η | 0.0004478 | Pa×s | 425.70 | Joback Calculated Property |
| η | 0.0002034 | Pa×s | 464.48 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 503.26 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 542.04 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 580.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(3-Hexyl)phenol.
Sources
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