- InChI
- InChI=1S/C11H16O/c1-8(2)10-7-9(3)5-6-11(10)12-4/h5-8H,1-4H3
- InChI Key
- CVUAHQAQHICPSF-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- COc1ccc(C)cc1C(C)C
- Molecular Weight1
- 164.24
- CAS
- 31574-44-4
- Other Names
-
- 2-Isopropyl-1-methoxy-4-methylbenzene
- Isothymol methyl ether
- Anisole, 2-isopropyl-4-methyl-
- 2-isopropyl-4-methylanisole
- 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.
- I : 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 | 0.4702 | Relay (... Calculated Property | |
| ΔfG° | 27.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.11 | kJ/mol | Relay (... Calculated Property |
| IE | 7.82 | eV | Relay (... Calculated Property |
| log10WS | -3.68 | Relay (... Calculated Property | |
| logPoct/wat | 3.127 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1215.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1215.00 | NIST | |
| Inp | 1244.00 | NIST | |
| I | [1576.00; 1595.00] |
|
|
| I | 1576.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1595.00 | NIST | |
| I | 1595.00 | NIST | |
| Tboil | 489.83 | K | Relay (... Calculated Property |
| Tc | 691.10 | K | Relay (... Calculated Property |
| Tfus | 302.18 | K | Relay (... Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.70; 408.15] | J/mol×K | [509.70; 716.96] |
|
| Cp,gas | 326.70 | J/mol×K | 509.70 | Joback Calculated Property |
| Cp,gas | 342.03 | J/mol×K | 544.24 | Joback Calculated Property |
| Cp,gas | 356.63 | J/mol×K | 578.79 | Joback Calculated Property |
| Cp,gas | 370.54 | J/mol×K | 613.33 | Joback Calculated Property |
| Cp,gas | 383.76 | J/mol×K | 647.87 | Joback Calculated Property |
| Cp,gas | 396.29 | J/mol×K | 682.41 | Joback Calculated Property |
| Cp,gas | 408.15 | J/mol×K | 716.96 | Joback Calculated Property |
| η | [0.0001623; 0.0018910] | Pa×s | [272.42; 509.70] |
|
| η | 0.0018910 | Pa×s | 272.42 | Joback Calculated Property |
| η | 0.0009689 | Pa×s | 311.97 | Joback Calculated Property |
| η | 0.0005771 | Pa×s | 351.51 | Joback Calculated Property |
| η | 0.0003817 | Pa×s | 391.06 | Joback Calculated Property |
| η | 0.0002723 | Pa×s | 430.61 | Joback Calculated Property |
| η | 0.0002057 | Pa×s | 470.15 | Joback Calculated Property |
| η | 0.0001623 | Pa×s | 509.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-.
Sources
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