- InChI
- InChI=1S/C10H14O/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6H,1-4H3
- InChI Key
- NNVKEOMPDSKFGZ-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- COc1c(C)cc(C)cc1C
- Molecular Weight1
- 150.22
- CAS
- 4028-66-4
- Other Names
-
- Anisole, 2,4,6-trimethyl-
- Methoxymesitylene
- 2,4,6-Trimethylanisole
- 2-methoxy-1,3,5-trimethylbenzene
- 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 | 0.4698 | Relay (1.0) Calculated Property | |
| ΔfG° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | NIST |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.620 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 2744.03 | kPa | Joback Calculated Property |
| Inp | [1159.00; 1178.00] |
|
|
| Inp | 1159.00 | NIST | |
| Inp | 1178.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1170.00 | NIST | |
| I | [1417.00; 1417.00] |
|
|
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| Tboil | 477.00 ± 3.00 | K | NIST |
| Tc | 694.76 | K | Relay (1.0) Calculated Property |
| Tfus | 251.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.42; 426.09] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.82900e+01 | |||
| Coefficient B | 6.33280e-01 | |||
| Coefficient C | -2.39280e-04 | |||
| Coefficient D | 3.80000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 222.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 258.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 321.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 348.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 372.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 411.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 426.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010441; 0.0001757] | Pa×s | [288.67; 489.56] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.12079e+01 | |||
| Coefficient B | 1.25377e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 288.67 | |||
| Temperature range, max. | 489.56 | |||
| η | 0.0010441 | Pa×s | 288.67 | Calculated Property |
| η | 0.0007644 | Pa×s | 310.99 | Calculated Property |
| η | 0.0005836 | Pa×s | 333.31 | Calculated Property |
| η | 0.0004608 | Pa×s | 355.63 | Calculated Property |
| η | 0.0003742 | Pa×s | 377.96 | Calculated Property |
| η | 0.0003110 | Pa×s | 400.28 | Calculated Property |
| η | 0.0002636 | Pa×s | 422.60 | Calculated Property |
| η | 0.0002271 | Pa×s | 444.92 | Calculated Property |
| η | 0.0001985 | Pa×s | 467.24 | Calculated Property |
| η | 0.0001757 | Pa×s | 489.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-methoxy-1,3,5-trimethyl-.
Sources
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