- InChI
- InChI=1S/C12H24O2/c1-8-14-10(13)9(11(2,3)4)12(5,6)7/h9H,8H2,1-7H3
- InChI Key
- VNYNVYALAACENJ-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCOC(=O)C(C(C)(C)C)C(C)(C)C
- Molecular Weight1
- 200.32
- Other Names
-
- Butanoic acid, 3,3-dimethyl-2-(1,1-dimethylethyl), ethyl ester
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -180.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.48 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 3.258 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | 1185.00 | NIST | |
| Tboil | 543.35 | K | Joback Calculated Property |
| Tc | 736.01 | K | Joback Calculated Property |
| Tfus | 287.00 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.19; 564.37] | J/mol×K | [543.35; 736.01] | 
|
| Cp,gas | 470.19 | J/mol×K | 543.35 | Joback Calculated Property |
| Cp,gas | 488.23 | J/mol×K | 575.46 | Joback Calculated Property |
| Cp,gas | 505.28 | J/mol×K | 607.57 | Joback Calculated Property |
| Cp,gas | 521.37 | J/mol×K | 639.68 | Joback Calculated Property |
| Cp,gas | 536.56 | J/mol×K | 671.79 | Joback Calculated Property |
| Cp,gas | 550.88 | J/mol×K | 703.90 | Joback Calculated Property |
| Cp,gas | 564.37 | J/mol×K | 736.01 | Joback Calculated Property |
| η | [0.0001530; 0.0070187] | Pa×s | [287.00; 543.35] |
|
| η | 0.0070187 | Pa×s | 287.00 | Joback Calculated Property |
| η | 0.0024540 | Pa×s | 329.73 | Joback Calculated Property |
| η | 0.0010919 | Pa×s | 372.45 | Joback Calculated Property |
| η | 0.0005740 | Pa×s | 415.18 | Joback Calculated Property |
| η | 0.0003402 | Pa×s | 457.90 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 500.62 | Joback Calculated Property |
| η | 0.0001530 | Pa×s | 543.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-tert.-butyl-3,3-dimethyl, ethyl ester.
Sources
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