- InChI
- InChI=1S/C14H14O/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3-10H,1-2H3
- InChI Key
- FDLFMPKQBNPIER-UHFFFAOYSA-N
- Formula
- C14H14O
- SMILES
- Cc1cccc(Oc2cccc(C)c2)c1
- Molecular Weight1
- 198.27
- 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 | 0.5346 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Aq. Solubility Prediction | |
| logPoct/wat | 4.096 | Crippen Calculated Property | |
| McVol | 166.470 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Tboil | 561.66 | K | Relay (1.0) Calculated Property |
| Tc | 811.37 | K | Relay (1.0) Calculated Property |
| Tfus | 298.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.619 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.47; 516.97] | 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 | -2.35500e+01 | |||
| Coefficient B | 9.93840e-01 | |||
| Coefficient C | -5.55120e-04 | |||
| Coefficient D | 1.01800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 263.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 311.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 355.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 393.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 426.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 455.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 479.49 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 500.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 516.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011465; 0.0001506] | Pa×s | [347.65; 590.67] |
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 | -1.17044e+01 | |||
| Coefficient B | 1.71509e+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. | 347.65 | |||
| Temperature range, max. | 590.67 | |||
| η | 0.0011465 | Pa×s | 347.65 | Calculated Property |
| η | 0.0008035 | Pa×s | 374.65 | Calculated Property |
| η | 0.0005906 | Pa×s | 401.65 | Calculated Property |
| η | 0.0004513 | Pa×s | 428.66 | Calculated Property |
| η | 0.0003561 | Pa×s | 455.66 | Calculated Property |
| η | 0.0002885 | Pa×s | 482.66 | Calculated Property |
| η | 0.0002390 | Pa×s | 509.66 | Calculated Property |
| η | 0.0002017 | Pa×s | 536.66 | Calculated Property |
| η | 0.0001731 | Pa×s | 563.66 | Calculated Property |
| η | 0.0001506 | Pa×s | 590.67 | Calculated Property |
Similar Compounds
Find more compounds similar to ditolyl ether.
Sources
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