- InChI
- InChI=1S/C14H22O/c1-4-5-6-11-14(2,3)12-7-9-13(15)10-8-12/h7-10,15H,4-6,11H2,1-3H3
- InChI Key
- BTTSZRJAGSFTPE-UHFFFAOYSA-N
- Formula
- C14H22O
- SMILES
- CCCCCC(C)(C)c1ccc(O)cc1
- Molecular Weight1
- 206.32
- 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° | 27.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -281.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.75 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 4.250 | Crippen Calculated Property | |
| McVol | 190.230 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | [1602.30; 1615.50] |
|
|
| Inp | 1602.30 | NIST | |
| Inp | 1608.20 | NIST | |
| Inp | 1615.50 | NIST | |
| Tboil | 623.79 | K | Joback Calculated Property |
| Tc | 840.06 | K | Joback Calculated Property |
| Tfus | 388.10 | K | Joback Calculated Property |
| Vc | 0.666 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [508.44; 596.60] | J/mol×K | [623.79; 840.06] |
|
| Cp,gas | 508.44 | J/mol×K | 623.79 | Joback Calculated Property |
| Cp,gas | 525.59 | J/mol×K | 659.84 | Joback Calculated Property |
| Cp,gas | 541.61 | J/mol×K | 695.88 | Joback Calculated Property |
| Cp,gas | 556.61 | J/mol×K | 731.93 | Joback Calculated Property |
| Cp,gas | 570.70 | J/mol×K | 767.97 | Joback Calculated Property |
| Cp,gas | 584.00 | J/mol×K | 804.02 | Joback Calculated Property |
| Cp,gas | 596.60 | J/mol×K | 840.06 | Joback Calculated Property |
| η | [0.0000217; 0.0015972] | Pa×s | [388.10; 623.79] |
|
| η | 0.0015972 | Pa×s | 388.10 | Joback Calculated Property |
| η | 0.0005613 | Pa×s | 427.38 | Joback Calculated Property |
| η | 0.0002353 | Pa×s | 466.66 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 505.94 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 545.23 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 584.51 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 623.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4(1,1-Dimethylhexyl)phenol.
Sources
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