- InChI
- InChI=1S/C9H12O/c1-3-8-4-7(2)5-9(10)6-8/h4-6,10H,3H2,1-2H3
- InChI Key
- XTCHLXABLZQNNN-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CCc1cc(C)cc(O)c1
- Molecular Weight1
- 136.19
- CAS
- 698-71-5
- Other Names
-
- 1-Hydroxy-3-methyl-5-ethylbenzene
- 3-Ethyl-5-methylphenol
- 3-Methyl-5-ethylphenol
- 5-Ethyl-3-methyphenol
- 5-ethyl-m-cresol
- m-Cresol, 5-ethyl-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- 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 |
|---|---|---|---|
| ΔfG° | -26.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.58 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| I | [1520.00; 1520.00] |
|
|
| I | 1520.00 | NIST | |
| I | 1520.00 | NIST | |
| I | 1520.00 | NIST | |
| Tboil | 517.60 | K | Joback Calculated Property |
| Tc | 740.98 | K | Joback Calculated Property |
| Tfus | 341.85 | K | Joback Calculated Property |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.07; 331.15] | J/mol×K | [517.60; 740.98] |
|
| Cp,gas | 267.07 | J/mol×K | 517.60 | Joback Calculated Property |
| Cp,gas | 279.62 | J/mol×K | 554.83 | Joback Calculated Property |
| Cp,gas | 291.33 | J/mol×K | 592.06 | Joback Calculated Property |
| Cp,gas | 302.26 | J/mol×K | 629.29 | Joback Calculated Property |
| Cp,gas | 312.50 | J/mol×K | 666.52 | Joback Calculated Property |
| Cp,gas | 322.10 | J/mol×K | 703.75 | Joback Calculated Property |
| Cp,gas | 331.15 | J/mol×K | 740.98 | Joback Calculated Property |
| η | [0.0000711; 0.0026759] | Pa×s | [341.85; 517.60] |
|
| η | 0.0026759 | Pa×s | 341.85 | Joback Calculated Property |
| η | 0.0011514 | Pa×s | 371.14 | Joback Calculated Property |
| η | 0.0005605 | Pa×s | 400.43 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 429.73 | Joback Calculated Property |
| η | 0.0001750 | Pa×s | 459.02 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 488.31 | Joback Calculated Property |
| η | 0.0000711 | Pa×s | 517.60 | Joback Calculated Property |
| ΔvapH | [55.00; 58.50] | kJ/mol | [445.50; 494.50] |
|
| ΔvapH | 58.50 | kJ/mol | 445.50 | NIST |
| ΔvapH | 55.00 | kJ/mol | 494.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [387.32; 538.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54470e+01 | |||
| Coefficient B | -4.61795e+03 | |||
| Coefficient C | -8.26940e+01 | |||
| Temperature range, min. | 387.32 | |||
| Temperature range, max. | 538.31 | |||
| Pvap | 1.33 | kPa | 387.32 | Calculated Property |
| Pvap | 2.94 | kPa | 404.10 | Calculated Property |
| Pvap | 6.00 | kPa | 420.87 | Calculated Property |
| Pvap | 11.44 | kPa | 437.65 | Calculated Property |
| Pvap | 20.58 | kPa | 454.43 | Calculated Property |
| Pvap | 35.19 | kPa | 471.20 | Calculated Property |
| Pvap | 57.55 | kPa | 487.98 | Calculated Property |
| Pvap | 90.52 | kPa | 504.76 | Calculated Property |
| Pvap | 137.54 | kPa | 521.53 | Calculated Property |
| Pvap | 202.63 | kPa | 538.31 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3-ethyl-5-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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