- InChI
- InChI=1S/C8H10O2/c1-6-4-3-5-7(9)8(6)10-2/h3-5,9H,1-2H3
- InChI Key
- SHESIBIEPSTHMZ-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- COc1c(C)cccc1O
- Molecular Weight1
- 138.17
- Other Names
-
- 2-Methoxy-3-methylphenol
- 2-Methoxy-2-methyl Phenol
- 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).
- Ip : 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 | 0.5677 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.709 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 4227.54 | kPa | Joback Calculated Property |
| Ip | [2021.00; 2021.00] |
|
|
| Ip | 2021.00 | NIST | |
| Ip | 2021.00 | NIST | |
| Tboil | 490.05 | K | Relay (1.0) Calculated Property |
| Tc | 722.51 | K | Relay (1.0) Calculated Property |
| Tfus | 286.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.78; 351.41] | 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 | -7.41000e+00 | |||
| Coefficient B | 7.16840e-01 | |||
| Coefficient C | -5.20920e-04 | |||
| Coefficient D | 1.62900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 152.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 219.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 245.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 269.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 289.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 307.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 323.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 351.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017487; 0.0000615] | Pa×s | [352.81; 519.50] |
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 | -1.67815e+01 | |||
| Coefficient B | 3.68075e+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. | 352.81 | |||
| Temperature range, max. | 519.50 | |||
| η | 0.0017487 | Pa×s | 352.81 | Calculated Property |
| η | 0.0010393 | Pa×s | 371.33 | Calculated Property |
| η | 0.0006490 | Pa×s | 389.85 | Calculated Property |
| η | 0.0004229 | Pa×s | 408.37 | Calculated Property |
| η | 0.0002860 | Pa×s | 426.89 | Calculated Property |
| η | 0.0001999 | Pa×s | 445.42 | Calculated Property |
| η | 0.0001437 | Pa×s | 463.94 | Calculated Property |
| η | 0.0001060 | Pa×s | 482.46 | Calculated Property |
| η | 0.0000799 | Pa×s | 500.98 | Calculated Property |
| η | 0.0000615 | Pa×s | 519.50 | Calculated Property |
Similar Compounds
Find more compounds similar to PHENOL, 2-METHOXY-3-METHYL-.
Sources
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