- InChI
- InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3
- InChI Key
- UPOMCDPCTBJJDA-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CC(C)COC(C)(C)C
- Molecular Weight1
- 130.23
- CAS
- 33021-02-2
- Other Names
-
- 1-(1,1-dimethylethoxy)-2-methylpropane
- 1-isobutoxy-1,1-dimethylethane
- 1-tert-Butoxy-2-methylpropane
- 2,2,5-trimethyl-3-oxahexane
- 2-methylpropyl 1,1-dimethylethyl ether
- Isobutyl tert-butyl ether
- ethane, 1-isobutoxy-1,1-dimethyl-
- ether, isobutyl tert-butyl
- ether, tert-butyl isobutyl
- tert-Butyl Isobutyl ether
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- 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.
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-5311.50; -5311.50] | kJ/mol |
|
| ΔcH°liquid | -5311.50 ± 2.00 | kJ/mol | NIST |
| ΔcH°liquid | -5311.50 ± 1.20 | kJ/mol | NIST |
| ΔfG° | -88.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-369.00; -368.20] | kJ/mol |
|
| ΔfH°gas | -368.20 ± 2.00 | kJ/mol | NIST |
| ΔfH°gas | -369.00 ± 1.60 | kJ/mol | NIST |
| ΔfH°liquid | [-409.10; -409.10] | kJ/mol |
|
| ΔfH°liquid | -409.10 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -409.10 ± 1.60 | kJ/mol | NIST |
| ΔfusH° | 8.65 | kJ/mol | The low... |
| ΔvapH° | [39.10; 41.20] | kJ/mol |
|
| ΔvapH° | 39.12 | kJ/mol | NIST |
| ΔvapH° | 39.10 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 41.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 39.20 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 40.94 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 40.90 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 40.10 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 40.12 ± 0.13 | kJ/mol | NIST |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 2.458 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Inp | [748.80; 763.00] |
|
|
| Inp | 750.20 | NIST | |
| Inp | 748.80 | NIST | |
| Inp | 763.00 | NIST | |
| Inp | 750.20 | NIST | |
| Inp | 763.00 | NIST | |
| Tboil | 385.20 | K | NIST |
| Tc | 579.71 | K | Joback Calculated Property |
| Tfus | 189.57 | K | Joback Calculated Property |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.89; 337.34] | J/mol×K | [401.19; 579.71] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 260 280 300 320 340 400 450 500 550 | ||||
| Cp,gas | 258.89 | J/mol×K | 401.19 | Joback Calculated Property |
| Cp,gas | 273.44 | J/mol×K | 430.94 | Joback Calculated Property |
| Cp,gas | 287.38 | J/mol×K | 460.70 | Joback Calculated Property |
| Cp,gas | 300.73 | J/mol×K | 490.45 | Joback Calculated Property |
| Cp,gas | 313.49 | J/mol×K | 520.20 | Joback Calculated Property |
| Cp,gas | 325.69 | J/mol×K | 549.95 | Joback Calculated Property |
| Cp,gas | 337.34 | J/mol×K | 579.71 | Joback Calculated Property |
| η | [0.0002319; 0.0136359] | Pa×s | [189.57; 401.19] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 0.01 0.01 0.01 200 300 400 | ||||
| η | 0.0136359 | Pa×s | 189.57 | Joback Calculated Property |
| η | 0.0040597 | Pa×s | 224.84 | Joback Calculated Property |
| η | 0.0016788 | Pa×s | 260.11 | Joback Calculated Property |
| η | 0.0008572 | Pa×s | 295.38 | Joback Calculated Property |
| η | 0.0005052 | Pa×s | 330.65 | Joback Calculated Property |
| η | 0.0003297 | Pa×s | 365.92 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 401.19 | Joback Calculated Property |
| ΔfusH | 8.65 | kJ/mol | 162.30 | NIST |
| ΔvapH | 33.11 | kJ/mol | 385.20 | NIST |
| Pvap | [0.68; 99.60] | kPa | [273.30; 385.45] |
|
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 300 350 | ||||
| Pvap | 0.68 | kPa | 273.30 | Determi... |
| Pvap | 0.75 | kPa | 275.40 | Determi... |
| Pvap | 0.80 | kPa | 276.40 | Determi... |
| Pvap | 0.90 | kPa | 278.50 | Determi... |
| Pvap | 0.94 | kPa | 278.60 | Determi... |
| Pvap | 0.98 | kPa | 280.40 | Determi... |
| Pvap | 1.21 | kPa | 282.50 | Determi... |
| Pvap | 1.36 | kPa | 283.50 | Determi... |
| Pvap | 1.40 | kPa | 284.60 | Determi... |
| Pvap | 1.66 | kPa | 287.60 | Determi... |
| Pvap | 1.77 | kPa | 288.40 | Determi... |
| Pvap | 2.00 | kPa | 290.60 | Determi... |
| Pvap | 2.35 | kPa | 293.40 | Determi... |
| Pvap | 2.44 | kPa | 293.60 | Determi... |
| Pvap | 2.69 | kPa | 295.60 | Determi... |
| Pvap | 3.19 | kPa | 298.40 | Determi... |
| Pvap | 3.15 | kPa | 298.70 | Determi... |
| Pvap | 3.72 | kPa | 301.80 | Determi... |
| Pvap | 4.03 | kPa | 303.40 | Determi... |
| Pvap | 4.45 | kPa | 304.80 | Determi... |
| Pvap | 5.22 | kPa | 308.40 | Determi... |
| Pvap | 6.23 | kPa | 310.61 | The the... |
| Pvap | 8.43 | kPa | 317.06 | The the... |
| Pvap | 10.80 | kPa | 322.60 | The the... |
| Pvap | 13.43 | kPa | 327.65 | The the... |
| Pvap | 16.83 | kPa | 333.13 | The the... |
| Pvap | 20.88 | kPa | 338.55 | The the... |
| Pvap | 25.07 | kPa | 343.33 | The the... |
| Pvap | 30.91 | kPa | 349.00 | The the... |
| Pvap | 37.26 | kPa | 354.26 | The the... |
| Pvap | 45.83 | kPa | 360.31 | The the... |
| Pvap | 56.12 | kPa | 366.48 | The the... |
| Pvap | 67.49 | kPa | 372.35 | The the... |
| Pvap | 81.57 | kPa | 378.59 | The the... |
| Pvap | 93.18 | kPa | 383.13 | The the... |
| Pvap | 95.31 | kPa | 383.92 | The the... |
| Pvap | 97.44 | kPa | 384.69 | The the... |
| Pvap | 99.60 | kPa | 385.45 | The the... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [304.00; 441.41] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44611e+01 | |||
| Coefficient B | -3.54707e+03 | |||
| Coefficient C | -5.37400e+01 | |||
| Temperature range, min. | 304.00 | |||
| Temperature range, max. | 441.41 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 | ||||
| Pvap | 1.33 | kPa | 304.00 | Calculated Property |
| Pvap | 3.01 | kPa | 319.27 | Calculated Property |
| Pvap | 6.23 | kPa | 334.54 | Calculated Property |
| Pvap | 11.95 | kPa | 349.80 | Calculated Property |
| Pvap | 21.50 | kPa | 365.07 | Calculated Property |
| Pvap | 36.62 | kPa | 380.34 | Calculated Property |
| Pvap | 59.47 | kPa | 395.61 | Calculated Property |
| Pvap | 92.68 | kPa | 410.87 | Calculated Property |
| Pvap | 139.25 | kPa | 426.14 | Calculated Property |
| Pvap | 202.64 | kPa | 441.41 | Calculated Property |
Similar Compounds
Find more compounds similar to Propane, 1-(1,1-dimethylethoxy)-2-methyl-.
Sources
- Crippen Method
- Crippen Method
- The low-temperature heat capacity and ideal gas thermodynamic properties of isobutyl tert-butyl ether
- The thermodynamics of vaporization of ethyl tert-butyl ether, isobutyl tert-butyl ether, and di-isopropyl ether
- Determination of Ambient Temperature Vapor Pressures and Vaporization Enthalpies of Branched Ethers
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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