- InChI
- InChI=1S/C12H18O2/c1-12(2,3)9-6-7-10(13-4)11(8-9)14-5/h6-8H,1-5H3
- InChI Key
- FSWSUKGIUZLXKK-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- COc1ccc(C(C)(C)C)cc1OC
- Molecular Weight1
- 194.27
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5242 | Relay (... Calculated Property | |
| ΔfG° | -63.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.01 | kJ/mol | Relay (... Calculated Property |
| IE | 7.79 | eV | Relay (... Calculated Property |
| log10WS | -3.73 | Relay (... Calculated Property | |
| logPoct/wat | 3.001 | Crippen Calculated Property | |
| McVol | 167.920 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| Inp | [1430.10; 1438.00] |
|
|
| Inp | 1430.10 | NIST | |
| Inp | 1438.00 | NIST | |
| Tboil | 523.57 | K | Relay (... Calculated Property |
| Tc | 723.25 | K | Relay (... Calculated Property |
| Tfus | 314.49 | K | Relay (... Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.85; 488.20] | J/mol×K | [552.21; 762.44] |
|
| Cp,gas | 401.85 | J/mol×K | 552.21 | Joback Calculated Property |
| Cp,gas | 418.35 | J/mol×K | 587.25 | Joback Calculated Property |
| Cp,gas | 433.99 | J/mol×K | 622.29 | Joback Calculated Property |
| Cp,gas | 448.77 | J/mol×K | 657.32 | Joback Calculated Property |
| Cp,gas | 462.72 | J/mol×K | 692.36 | Joback Calculated Property |
| Cp,gas | 475.86 | J/mol×K | 727.40 | Joback Calculated Property |
| Cp,gas | 488.20 | J/mol×K | 762.44 | Joback Calculated Property |
| η | [0.0001232; 0.0013298] | Pa×s | [323.34; 552.21] |
|
| η | 0.0013298 | Pa×s | 323.34 | Joback Calculated Property |
| η | 0.0007257 | Pa×s | 361.49 | Joback Calculated Property |
| η | 0.0004445 | Pa×s | 399.63 | Joback Calculated Property |
| η | 0.0002966 | Pa×s | 437.78 | Joback Calculated Property |
| η | 0.0002111 | Pa×s | 475.92 | Joback Calculated Property |
| η | 0.0001581 | Pa×s | 514.07 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 552.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-tert-Butylcatechol, dimethyl ether.
Sources
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