![Benzene, [(1,1-dimethylethoxy)methyl]-](/cid/79-807-9/Benzene-1-1-dimethylethoxy-methyl.png "Benzene, [(1,1-dimethylethoxy)methyl]-")
- InChI
- InChI=1S/C11H16O/c1-11(2,3)12-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
- InChI Key
- TZGIRWVSWPFWBP-UHFFFAOYSA-N
- Formula
- C11H16O
- SMILES
- CC(C)(C)OCc1ccccc1
- Molecular Weight1
- 164.25
- Other Names
-
- [(1,1-dimethylethoxy)methyl]benzene
- benzyl tert-butyl ether
- ether, benzyl tert-butyl
- 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).
- Pvap : Vapor 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 | 0.4006 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.002 | Crippen Calculated Property | |
| McVol | 147.960 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Tboil | 464.83 | K | Relay (1.0) Calculated Property |
| Tc | 677.50 | K | Relay (1.0) Calculated Property |
| Tfus | 236.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.52; 488.27] | 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 | -3.99890e+01 | |||
| Coefficient B | 1.03256e+00 | |||
| Coefficient C | -6.66600e-04 | |||
| Coefficient D | 1.62300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 249.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 296.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 337.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 373.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 403.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 430.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 452.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 471.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 488.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0038714; 0.0001784] | Pa×s | [264.80; 497.51] |
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 | -1.21336e+01 | |||
| Coefficient B | 1.74225e+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. | 264.80 | |||
| Temperature range, max. | 497.51 | |||
| η | 0.0038714 | Pa×s | 264.80 | Calculated Property |
| η | 0.0021562 | Pa×s | 290.66 | Calculated Property |
| η | 0.0013214 | Pa×s | 316.51 | Calculated Property |
| η | 0.0008719 | Pa×s | 342.37 | Calculated Property |
| η | 0.0006099 | Pa×s | 368.22 | Calculated Property |
| η | 0.0004472 | Pa×s | 394.08 | Calculated Property |
| η | 0.0003406 | Pa×s | 419.94 | Calculated Property |
| η | 0.0002678 | Pa×s | 445.79 | Calculated Property |
| η | 0.0002161 | Pa×s | 471.65 | Calculated Property |
| η | 0.0001784 | Pa×s | 497.51 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, [(1,1-dimethylethoxy)methyl]-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermochemistry of Benzyl Alcohol: Reaction Equilibria Involving Benzyl Alcohol and tert-Alkyl Ethers
- Joback Method
- McGowan Method
- NIST Webbook
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