- InChI
- InChI=1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key
- UDONPJKEOAWFGI-UHFFFAOYSA-N
- Formula
- C13H12O
- SMILES
- Cc1cccc(Oc2ccccc2)c1
- Molecular Weight1
- 184.24
- Other Names
-
- Ether, phenyl m-tolyl
- m-Methylphenyl phenyl ether
- m-Phenoxytoluene
- Phenyl m-tolyl ether
- 1-Methyl-3-phenoxybenzene
- 3-Methylphenyl phenyl ether
- 3-Phenoxytoluene
- 3-Methyldiphenyl ether
- Phenyl 3-tolyl ether
- 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 | 0.4822 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 24.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.787 | Crippen Calculated Property | |
| McVol | 152.380 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | [259.00; 259.00] |
|
|
| Inp | 259.00 | NIST | |
| Inp | 259.00 | NIST | |
| Tboil | [545.00; 545.20] | K |
|
| Tboil | 545.20 | K | NIST |
| Tboil | 545.00 ± 1.00 | K | NIST |
| Tc | 800.96 | K | Relay (1.0) Calculated Property |
| Tfus | 273.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.564 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.70; 468.42] | 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 | -3.69400e+01 | |||
| Coefficient B | 9.58320e-01 | |||
| Coefficient C | -5.67760e-04 | |||
| Coefficient D | 1.14800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.70 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 236.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 281.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 321.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 356.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 387.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 413.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 435.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 453.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 468.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014893; 0.0001570] | Pa×s | [323.86; 573.99] |
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 | -1.16728e+01 | |||
| Coefficient B | 1.67219e+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. | 323.86 | |||
| Temperature range, max. | 573.99 | |||
| η | 0.0014893 | Pa×s | 323.86 | Calculated Property |
| η | 0.0009903 | Pa×s | 351.65 | Calculated Property |
| η | 0.0006990 | Pa×s | 379.44 | Calculated Property |
| η | 0.0005175 | Pa×s | 407.24 | Calculated Property |
| η | 0.0003981 | Pa×s | 435.03 | Calculated Property |
| η | 0.0003160 | Pa×s | 462.82 | Calculated Property |
| η | 0.0002575 | Pa×s | 490.61 | Calculated Property |
| η | 0.0002145 | Pa×s | 518.40 | Calculated Property |
| η | 0.0001820 | Pa×s | 546.20 | Calculated Property |
| η | 0.0001570 | Pa×s | 573.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-3-phenoxy-.
Sources
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