- InChI
- InChI=1S/C8H18O/c1-5-6-7-9-8(2,3)4/h5-7H2,1-4H3
- InChI Key
- JJNQHLLBFBGKEL-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCOC(C)(C)C
- Molecular Weight1
- 130.23
- CAS
- 1000-63-1
- Other Names
-
- 1,1-dimethyl-1-butoxyethane
- 1-(1,1-dimethylethoxy)butane
- 1-butyl tert-butyl ether
- 2,2-dimethyl-3-oxaheptane
- butane, 1-(1,1-dimethylethoxy)-
- butyl 1,1-dimethylethyl ether
- butyl tert-butyl ether
- ethane, 1-butoxy-1,1-dimethyl-
- ether, butyl tert-butyl
- n-butyl tert-butyl ether
- tert-butyl butyl ether
- ω : Acentric Factor.
- 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).
- 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).
- n0 : Refractive Index.
- 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 |
|---|---|---|---|
| ω | 0.3839 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5317.30 ± 1.50 | kJ/mol | NIST |
| ΔfG° | -85.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.00 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | -403.30 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 10.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [41.60; 43.20] | kJ/mol |
|
| ΔvapH° | 43.20 | kJ/mol | NIST |
| ΔvapH° | 41.60 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 42.30 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 42.33 ± 0.25 | kJ/mol | NIST |
| IE | 9.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.602 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2540.49 | kPa | Joback Calculated Property |
| Inp | [796.00; 803.00] |
|
|
| Inp | 796.20 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 803.00 | NIST | |
| Tboil | [395.65; 397.15] | K |
|
| Tboil | 395.65 | K | Isobaric vapor liquid equilibria of 1,1-dimethylethoxy-butane + methanol or ethanol +water at 101.32 kPa |
| Tboil | 397.15 ± 4.00 | K | NIST |
| Tboil | 397.00 ± 2.00 | K | NIST |
| Tc | 549.50 | K | Relay (1.0) Calculated Property |
| Tfus | 164.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.96; 335.39] | J/mol×K | [401.63; 576.09] |
|
| Cp,gas | 258.96 | J/mol×K | 401.63 | Joback Calculated Property |
| Cp,gas | 273.09 | J/mol×K | 430.71 | Joback Calculated Property |
| Cp,gas | 286.65 | J/mol×K | 459.78 | Joback Calculated Property |
| Cp,gas | 299.64 | J/mol×K | 488.86 | Joback Calculated Property |
| Cp,gas | 312.08 | J/mol×K | 517.94 | Joback Calculated Property |
| Cp,gas | 323.99 | J/mol×K | 547.02 | Joback Calculated Property |
| Cp,gas | 335.39 | J/mol×K | 576.09 | Joback Calculated Property |
| η | [0.0002404; 0.0073558] | Pa×s | [204.57; 401.63] |
|
| η | 0.0073558 | Pa×s | 204.57 | Joback Calculated Property |
| η | 0.0028037 | Pa×s | 237.41 | Joback Calculated Property |
| η | 0.0013510 | Pa×s | 270.26 | Joback Calculated Property |
| η | 0.0007626 | Pa×s | 303.10 | Joback Calculated Property |
| η | 0.0004814 | Pa×s | 335.94 | Joback Calculated Property |
| η | 0.0003298 | Pa×s | 368.79 | Joback Calculated Property |
| η | 0.0002404 | Pa×s | 401.63 | Joback Calculated Property |
| ΔvapH | [38.30; 41.70] | kJ/mol | [345.00; 376.50] |
|
| ΔvapH | 41.70 | kJ/mol | 345.00 | NIST |
| ΔvapH | 38.30 | kJ/mol | 376.50 | NIST |
| n0 | 1.39170 | 298.10 | PHYSICAL AND EXCESS PROPERTIES OF BINARY AND TERNARY MIXTURES OF 1,1-DIMETHYLETHOXY-BUTANE, METHANOL, ETHANOL AND WATER AT 298.15K. | |
Similar Compounds
Find more compounds similar to 1-Tert-butoxybutane.
Mixtures
- Ethanol + 1-Tert-butoxybutane
- 1-Tert-butoxybutane + Methyl Alcohol
- Ethanol + 1-Tert-butoxybutane + Water
- 1-Tert-butoxybutane + Methyl Alcohol + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Isobaric vapor liquid equilibria of 1,1-dimethylethoxy-butane + methanol or ethanol +water at 101.32 kPa
- PHYSICAL AND EXCESS PROPERTIES OF BINARY AND TERNARY MIXTURES OF 1,1-DIMETHYLETHOXY-BUTANE, METHANOL, ETHANOL AND WATER AT 298.15K.
- Thermodynamic Analysis of the Experimental Equilibria for the Liquid-Phase Etherification of Isobutene with C1 to C4 Linear Primary Alcohols
- Thermochemistry of Benzyl Alcohol: Reaction Equilibria Involving Benzyl Alcohol and tert-Alkyl Ethers
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.