- InChI
- InChI=1S/C9H12O/c1-7-4-5-9(10-3)6-8(7)2/h4-6H,1-3H3
- InChI Key
- LVUBSVWMOWKPDJ-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- COc1ccc(C)c(C)c1
- Molecular Weight1
- 136.19
- CAS
- 4685-47-6
- Other Names
-
- Benzene, 4-methoxy-1,2-dimethyl-
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 13.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.312 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Inp | [1121.00; 1164.00] |
|
|
| Inp | 1147.00 | NIST | |
| Inp | 1164.00 | NIST | |
| Inp | 1123.60 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Tboil | [473.70; 477.70] | K |
|
| Tboil | 473.70 | K | NIST |
| Tboil | 477.70 | K | NIST |
| Tc | 672.88 | K | Joback Calculated Property |
| Tfus | 264.88 | K | Joback Calculated Property |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.84; 308.18] | J/mol×K | [464.38; 672.88] |
|
| Cp,gas | 239.84 | J/mol×K | 464.38 | Joback Calculated Property |
| Cp,gas | 252.59 | J/mol×K | 499.13 | Joback Calculated Property |
| Cp,gas | 264.78 | J/mol×K | 533.88 | Joback Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 568.63 | Joback Calculated Property |
| Cp,gas | 287.55 | J/mol×K | 603.38 | Joback Calculated Property |
| Cp,gas | 298.13 | J/mol×K | 638.13 | Joback Calculated Property |
| Cp,gas | 308.18 | J/mol×K | 672.88 | Joback Calculated Property |
| η | [0.0001853; 0.0013208] | Pa×s | [264.88; 464.38] |
|
| η | 0.0013208 | Pa×s | 264.88 | Joback Calculated Property |
| η | 0.0007933 | Pa×s | 298.13 | Joback Calculated Property |
| η | 0.0005277 | Pa×s | 331.38 | Joback Calculated Property |
| η | 0.0003782 | Pa×s | 364.63 | Joback Calculated Property |
| η | 0.0002865 | Pa×s | 397.88 | Joback Calculated Property |
| η | 0.0002266 | Pa×s | 431.13 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 464.38 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 369.70 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Dimethylanisole.
Sources
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