- 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 3,3-dimethylbutyrate
- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.62; 349.99] | J/mol×K | [437.63; 620.24] |
|
| Cp,gas | 276.62 | J/mol×K | 437.63 | Joback Calculated Property |
| Cp,gas | 290.42 | J/mol×K | 468.06 | Joback Calculated Property |
| Cp,gas | 303.56 | J/mol×K | 498.50 | Joback Calculated Property |
| Cp,gas | 316.07 | J/mol×K | 528.93 | Joback Calculated Property |
| Cp,gas | 327.97 | J/mol×K | 559.37 | Joback Calculated Property |
| Cp,gas | 339.27 | J/mol×K | 589.80 | Joback Calculated Property |
| Cp,gas | 349.99 | J/mol×K | 620.24 | Joback Calculated Property |
| η | [0.0002503; 0.0098150] | Pa×s | [224.67; 437.63] |
|
| η | 0.0098150 | Pa×s | 224.67 | Joback Calculated Property |
| η | 0.0035088 | Pa×s | 260.16 | Joback Calculated Property |
| η | 0.0016058 | Pa×s | 295.66 | Joback Calculated Property |
| η | 0.0008689 | Pa×s | 331.15 | Joback Calculated Property |
| η | 0.0005296 | Pa×s | 366.64 | Joback Calculated Property |
| η | 0.0003522 | Pa×s | 402.14 | Joback Calculated Property |
| η | 0.0002503 | Pa×s | 437.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to ETHYL 3,3-DIMETHYLBUTYRATE.
Sources
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