- InChI
- InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
- InChI Key
- CIRRFAQIWQFQSS-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CCc1cccc(C)c1O
- Molecular Weight1
- 136.19
- CAS
- 1687-64-5
- Other Names
-
- o-Cresol, 6-ethyl-
- 2-Ethyl-6-methylphenol
- 6-Ethyl-o-cresol
- 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 | 0.5237 | Relay (1.0) Calculated Property | |
| ΔfG° | -26.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Inp | [1236.00; 1236.00] |
|
|
| Inp | 1236.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1236.00 | NIST | |
| I | 2170.00 | NIST | |
| Tboil | [486.15; 486.15] | K |
|
| Tboil | 486.15 ± 3.00 | K | NIST |
| Tboil | 486.15 ± 3.00 | K | NIST |
| Tboil | 486.15 ± 3.00 | K | NIST |
| Tc | 705.90 | K | Relay (1.0) Calculated Property |
| Tfus | 290.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.59; 384.50] | 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 | -3.38190e+01 | |||
| Coefficient B | 8.75040e-01 | |||
| Coefficient C | -6.86320e-04 | |||
| Coefficient D | 2.29600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 235.67 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 266.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 292.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 315.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 335.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 352.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 368.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 384.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026759; 0.0000699] | Pa×s | [341.85; 518.88] |
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 | -1.66089e+01 | |||
| Coefficient B | 3.65282e+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. | 341.85 | |||
| Temperature range, max. | 518.88 | |||
| η | 0.0026759 | Pa×s | 341.85 | Calculated Property |
| η | 0.0014961 | Pa×s | 361.52 | Calculated Property |
| η | 0.0008882 | Pa×s | 381.19 | Calculated Property |
| η | 0.0005550 | Pa×s | 400.86 | Calculated Property |
| η | 0.0003624 | Pa×s | 420.53 | Calculated Property |
| η | 0.0002458 | Pa×s | 440.20 | Calculated Property |
| η | 0.0001724 | Pa×s | 459.87 | Calculated Property |
| η | 0.0001244 | Pa×s | 479.54 | Calculated Property |
| η | 0.0000922 | Pa×s | 499.21 | Calculated Property |
| η | 0.0000699 | Pa×s | 518.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-ethyl-6-methyl-.
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