- InChI
- InChI=1S/C11H16O2/c1-7(2)9-6-5-8(3)10(12)11(9)13-4/h5-7,12H,1-4H3
- InChI Key
- PVEFRHUZPGCJIK-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- COc1c(C(C)C)ccc(C)c1O
- Molecular Weight1
- 180.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -340.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.77 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 153.830 | ml/mol | McGowan Calculated Property |
| Ip | [2410.00; 2410.00] |
|
|
| Ip | 2410.00 | NIST | |
| Ip | 2410.00 | NIST | |
| Tboil | 521.86 | K | Relay (1.0) Calculated Property |
| Tfus | 323.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.66; 503.68] | 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 | 2.48000e+00 | |||
| Coefficient B | 9.48280e-01 | |||
| Coefficient C | -6.20280e-04 | |||
| Coefficient D | 1.73200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 218.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 384.03 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 440.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 463.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 484.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 503.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010379; 0.0000379] | Pa×s | [384.14; 566.56] |
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 | -1.71527e+01 | |||
| Coefficient B | 3.94979e+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. | 384.14 | |||
| Temperature range, max. | 566.56 | |||
| η | 0.0010379 | Pa×s | 384.14 | Calculated Property |
| η | 0.0006200 | Pa×s | 404.41 | Calculated Property |
| η | 0.0003890 | Pa×s | 424.68 | Calculated Property |
| η | 0.0002546 | Pa×s | 444.95 | Calculated Property |
| η | 0.0001730 | Pa×s | 465.22 | Calculated Property |
| η | 0.0001213 | Pa×s | 485.48 | Calculated Property |
| η | 0.0000876 | Pa×s | 505.75 | Calculated Property |
| η | 0.0000648 | Pa×s | 526.02 | Calculated Property |
| η | 0.0000491 | Pa×s | 546.29 | Calculated Property |
| η | 0.0000379 | Pa×s | 566.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 6-methyl-2-methoxy-3-(1-methylethyl).
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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