- InChI
- InChI=1S/C13H12O/c1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12/h2-10H,1H3
- InChI Key
- WCOYPFBMFKXWBM-UHFFFAOYSA-N
- Formula
- C13H12O
- SMILES
- Cc1ccccc1Oc1ccccc1
- Molecular Weight1
- 184.24
- Other Names
-
- 1-Methyl-2-phenoxybenzene
- 2-Methylphenyl phenyl ether
- Ether, phenyl o-tolyl
- Phenyl o-tolyl ether
- o-Methylphenyl phenyl ether
- o-phenoxytoluene
- 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).
- 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 | 0.4688 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | 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 |
| Tboil | 536.02 | K | Relay (1.0) Calculated Property |
| Tc | 798.38 | K | Relay (1.0) Calculated Property |
| Tfus | 294.85 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.560 | 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 | [0.0024752; 0.0001570] | Pa×s | [294.85; 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. | 294.85 | |||
| Temperature range, max. | 573.99 | |||
| η | 0.0024752 | Pa×s | 294.85 | Calculated Property |
| η | 0.0014427 | Pa×s | 325.87 | Calculated Property |
| η | 0.0009236 | Pa×s | 356.88 | Calculated Property |
| η | 0.0006350 | Pa×s | 387.90 | Calculated Property |
| η | 0.0004615 | Pa×s | 418.91 | Calculated Property |
| η | 0.0003505 | Pa×s | 449.93 | Calculated Property |
| η | 0.0002758 | Pa×s | 480.94 | Calculated Property |
| η | 0.0002234 | Pa×s | 511.96 | Calculated Property |
| η | 0.0001854 | Pa×s | 542.97 | Calculated Property |
| η | 0.0001570 | Pa×s | 573.99 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-2-phenoxy-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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