- InChI
- InChI=1S/C8H16O2/c1-5-10-7(9)6-8(2,3)4/h5-6H2,1-4H3
- InChI Key
- JWMNHAMYTBAUPI-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CCOC(=O)CC(C)(C)C
- Molecular Weight1
- 144.21
- Other Names
-
- Ethyl tert-butylacetate
- Butanoic acid, 3,3-dimethyl-, ethyl ester
- Ethyl 3,3-dimethylbutanoate
- 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).
- 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 | 0.4419 | Relay (1.0) Calculated Property | |
| ΔfG° | -291.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.986 | Crippen Calculated Property | |
| McVol | 131.020 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Inp | [878.00; 878.00] |
|
|
| Inp | 878.00 | NIST | |
| Inp | 878.00 | NIST | |
| Tboil | 401.61 | K | Relay (1.0) Calculated Property |
| Tc | 603.13 | K | Relay (1.0) Calculated Property |
| Tfus | 214.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.07; 441.63] | 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 | -3.44800e+00 | |||
| Coefficient B | 8.34880e-01 | |||
| Coefficient C | -4.88600e-04 | |||
| Coefficient D | 9.88000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 235.14 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.19 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 310.56 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 391.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 411.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 427.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0098150; 0.0002581] | Pa×s | [224.67; 434.17] |
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 | -1.21637e+01 | |||
| Coefficient B | 1.69398e+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. | 224.67 | |||
| Temperature range, max. | 434.17 | |||
| η | 0.0098150 | Pa×s | 224.67 | Calculated Property |
| η | 0.0048359 | Pa×s | 247.95 | Calculated Property |
| η | 0.0026905 | Pa×s | 271.22 | Calculated Property |
| η | 0.0016422 | Pa×s | 294.50 | Calculated Property |
| η | 0.0010776 | Pa×s | 317.78 | Calculated Property |
| η | 0.0007489 | Pa×s | 341.06 | Calculated Property |
| η | 0.0005453 | Pa×s | 364.33 | Calculated Property |
| η | 0.0004124 | Pa×s | 387.61 | Calculated Property |
| η | 0.0003220 | Pa×s | 410.89 | Calculated Property |
| η | 0.0002581 | Pa×s | 434.17 | Calculated Property |
Similar Compounds
Find more compounds similar to ETHYL 3,3-DIMETHYLBUTYRATE.
Sources
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