- InChI
- InChI=1S/C12H26O/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5-11H2,1-4H3
- InChI Key
- DXJWXUJMLBHMHP-UHFFFAOYSA-N
- Formula
- C12H26O
- SMILES
- CCCCCCCCOC(C)(C)C
- Molecular Weight1
- 186.33
- CAS
- 51323-70-7
- 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 | 0.5577 | Relay (1.0) Calculated Property | |
| ΔfG° | -52.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -439.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.40 | kJ/mol | NIST |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.162 | Crippen Calculated Property | |
| McVol | 185.810 | ml/mol | McGowan Calculated Property |
| Pc | 1783.35 | kPa | Joback Calculated Property |
| Tboil | 474.06 | K | Relay (1.0) Calculated Property |
| Tc | 639.10 | K | Relay (1.0) Calculated Property |
| Tfus | 212.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.99; 658.39] | 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 | -6.99300e+00 | |||
| Coefficient B | 1.20648e+00 | |||
| Coefficient C | -6.89800e-04 | |||
| Coefficient D | 1.48700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 273.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 340.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 399.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 498.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 539.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 575.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 607.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 634.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 658.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0060945; 0.0002162] | Pa×s | [249.65; 464.33] |
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 | -1.23224e+01 | |||
| Coefficient B | 1.80299e+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. | 249.65 | |||
| Temperature range, max. | 464.33 | |||
| η | 0.0060945 | Pa×s | 249.65 | Calculated Property |
| η | 0.0032463 | Pa×s | 273.50 | Calculated Property |
| η | 0.0019131 | Pa×s | 297.36 | Calculated Property |
| η | 0.0012195 | Pa×s | 321.21 | Calculated Property |
| η | 0.0008273 | Pa×s | 345.06 | Calculated Property |
| η | 0.0005901 | Pa×s | 368.92 | Calculated Property |
| η | 0.0004386 | Pa×s | 392.77 | Calculated Property |
| η | 0.0003372 | Pa×s | 416.63 | Calculated Property |
| η | 0.0002668 | Pa×s | 440.48 | Calculated Property |
| η | 0.0002162 | Pa×s | 464.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Octyl tert-butyl ether.
Sources
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