- InChI
- InChI=1S/C9H12O/c1-7-4-5-9(10-3)8(2)6-7/h4-6H,1-3H3
- InChI Key
- UJCFZCTTZWHRNL-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- COc1ccc(C)cc1C
- Molecular Weight1
- 136.19
- CAS
- 6738-23-4
- Other Names
-
- 1-methoxy-2,4-dimethylbenzene
- Benzene, 1-methoxy-2,4-dimethyl-
- 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 | 0.4382 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | NIST |
| log10WS | -2.70 | Relay (1.0) 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 | [1088.00; 1114.00] |
|
|
| Inp | 1101.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Inp | 1101.00 | NIST | |
| Tboil | [464.00; 465.20] | K |
|
| Tboil | 465.20 | K | NIST |
| Tboil | 464.00 ± 3.00 | K | NIST |
| Tc | [681.00; 682.00] | K |
|
| Tc | 682.00 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 Compiled value |
| Tc | 681.00 ± 2.00 | K | NIST |
| Tfus | 253.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.65; 377.54] | 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 | 1.49000e+01 | |||
| Coefficient B | 5.97760e-01 | |||
| Coefficient C | -2.51920e-04 | |||
| Coefficient D | 1.68000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 228.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 309.30 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 330.49 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 348.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 364.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 377.54 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013208; 0.0001729] | Pa×s | [264.88; 477.05] |
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 | -1.12009e+01 | |||
| Coefficient B | 1.21087e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 264.88 | |||
| Temperature range, max. | 477.05 | |||
| η | 0.0013208 | Pa×s | 264.88 | Calculated Property |
| η | 0.0009090 | Pa×s | 288.45 | Calculated Property |
| η | 0.0006620 | Pa×s | 312.03 | Calculated Property |
| η | 0.0005040 | Pa×s | 335.60 | Calculated Property |
| η | 0.0003977 | Pa×s | 359.18 | Calculated Property |
| η | 0.0003232 | Pa×s | 382.75 | Calculated Property |
| η | 0.0002690 | Pa×s | 406.33 | Calculated Property |
| η | 0.0002284 | Pa×s | 429.90 | Calculated Property |
| η | 0.0001973 | Pa×s | 453.48 | Calculated Property |
| η | 0.0001729 | Pa×s | 477.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethylanisole.
Sources
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 7 ChEDL chemicals 1.5.2, from Kudchadker, A. P.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 7. Oxygen Compounds Other Than Alkanols and Cycloalkanols. J. Chem. Eng. Data 2001, 46, 457-479.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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