- InChI
- InChI=1S/C17H20O/c1-3-8-15(14-10-5-4-6-11-14)16-12-7-9-13(2)17(16)18/h4-7,9-12,15,18H,3,8H2,1-2H3
- InChI Key
- IDWTUXABKUCYJN-UHFFFAOYSA-N
- Formula
- C17H20O
- SMILES
- CCCC(c1ccccc1)c1cccc(C)c1O
- Molecular Weight1
- 240.34
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 150.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 4.633 | Crippen Calculated Property | |
| McVol | 208.740 | ml/mol | McGowan Calculated Property |
| Pc | 2388.85 | kPa | Joback Calculated Property |
| Inp | [1856.00; 1856.00] |
|
|
| Inp | 1856.00 | NIST | |
| Inp | 1856.00 | NIST | |
| Tboil | 726.88 | K | Joback Calculated Property |
| Tc | 965.77 | K | Joback Calculated Property |
| Tfus | 443.43 | K | Joback Calculated Property |
| Vc | 0.732 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [582.34; 668.85] | J/mol×K | [726.88; 965.77] |
|
| Cp,gas | 582.34 | J/mol×K | 726.88 | Joback Calculated Property |
| Cp,gas | 599.10 | J/mol×K | 766.69 | Joback Calculated Property |
| Cp,gas | 614.75 | J/mol×K | 806.51 | Joback Calculated Property |
| Cp,gas | 629.42 | J/mol×K | 846.32 | Joback Calculated Property |
| Cp,gas | 643.23 | J/mol×K | 886.14 | Joback Calculated Property |
| Cp,gas | 656.33 | J/mol×K | 925.95 | Joback Calculated Property |
| Cp,gas | 668.85 | J/mol×K | 965.77 | Joback Calculated Property |
| η | [0.0000102; 0.0005241] | Pa×s | [443.43; 726.88] |
|
| η | 0.0005241 | Pa×s | 443.43 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 490.67 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 537.91 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 585.15 | Joback Calculated Property |
| η | 0.0000257 | Pa×s | 632.40 | Joback Calculated Property |
| η | 0.0000157 | Pa×s | 679.64 | Joback Calculated Property |
| η | 0.0000102 | Pa×s | 726.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-6-(1-phenylbutyl)phenol.
Sources
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