- InChI
- InChI=1S/C8H18O/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
- InChI Key
- SZNYYWIUQFZLLT-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CC(C)COCC(C)C
- Molecular Weight1
- 130.23
- CAS
- 628-55-7
- Other Names
-
- 1,1'-oxybis(2-methylpropane)
- 1,1'-oxybis[2-methylpropane]
- 1-isobutoxy-2-methylpropane
- 2,6-dimethyl-4-oxaheptane
- Propane, 1,1'-oxybis*2-methyl-
- bis(2-methylpropyl) ether
- diisobutyl ether
- isobutyl ether
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.4179 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ΔfH°gas | -346.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.33 | kJ/mol | Phase Equilibria and Thermodynamic Properties of Some Branched Alkyl Ethers |
| ΔvapH° | [40.85; 41.20] | kJ/mol |
|
| ΔvapH° | 40.85 | kJ/mol | NIST |
| ΔvapH° | 41.20 ± 0.70 | kJ/mol | NIST |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.315 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2550.00 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [808.00; 811.00] |
|
|
| Inp | 808.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 808.00 | NIST | |
| Ip | [969.00; 969.00] |
|
|
| Ip | 969.00 | NIST | |
| Ip | 969.00 | NIST | |
| Tboil | [395.50; 396.20] | K |
|
| Tboil | 395.70 | K | NIST |
| Tboil | 396.20 | K | NIST |
| Tboil | 395.50 ± 0.50 | K | NIST |
| Tc | 562.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | 171.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 11.33 | kJ/mol | 195.50 | NIST |
| ΔvapH | [33.95; 38.90] | kJ/mol | [358.00; 396.20] |
|
| ΔvapH | 38.90 | kJ/mol | 358.00 | NIST |
| ΔvapH | 33.95 | kJ/mol | 396.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.97; 451.63] | 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 | 1.77520e+01 | |||
| Coefficient B | 7.12480e-01 | |||
| Coefficient C | -3.06800e-04 | |||
| Coefficient D | 2.82000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 189.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 307.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 393.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0136903; 0.0002222] | Pa×s | [172.15; 393.40] |
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 | -1.16187e+01 | |||
| Coefficient B | 1.26145e+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. | 172.15 | |||
| Temperature range, max. | 393.40 | |||
| η | 0.0136903 | Pa×s | 172.15 | Calculated Property |
| η | 0.0054797 | Pa×s | 196.73 | Calculated Property |
| η | 0.0026881 | Pa×s | 221.32 | Calculated Property |
| η | 0.0015204 | Pa×s | 245.90 | Calculated Property |
| η | 0.0009539 | Pa×s | 270.48 | Calculated Property |
| η | 0.0006467 | Pa×s | 295.07 | Calculated Property |
| η | 0.0004655 | Pa×s | 319.65 | Calculated Property |
| η | 0.0003512 | Pa×s | 344.23 | Calculated Property |
| η | 0.0002751 | Pa×s | 368.82 | Calculated Property |
| η | 0.0002222 | Pa×s | 393.40 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [297.01; 419.36] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54060e+01 | |||
| Coefficient B | -3.71665e+03 | |||
| Coefficient C | -5.11710e+01 | |||
| Temperature range, min. | 297.01 | |||
| Temperature range, max. | 419.36 | |||
| Pvap | 1.33 | kPa | 297.01 | Calculated Property |
| Pvap | 2.94 | kPa | 310.60 | Calculated Property |
| Pvap | 6.01 | kPa | 324.20 | Calculated Property |
| Pvap | 11.46 | kPa | 337.79 | Calculated Property |
| Pvap | 20.62 | kPa | 351.39 | Calculated Property |
| Pvap | 35.25 | kPa | 364.98 | Calculated Property |
| Pvap | 57.64 | kPa | 378.58 | Calculated Property |
| Pvap | 90.62 | kPa | 392.17 | Calculated Property |
| Pvap | 137.63 | kPa | 405.77 | Calculated Property |
| Pvap | 202.66 | kPa | 419.36 | Calculated Property |
Similar Compounds
![Propane, 1,1'-[methylenebis(oxy)]bis[2-methyl-.](data:image/png;base64,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)
Find more compounds similar to Propane, 1,1'-oxybis[2-methyl-.
Sources
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase Equilibria and Thermodynamic Properties of Some Branched Alkyl Ethers
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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