- InChI
- InChI=1S/C11H22O2/c1-7-11(6,10(3,4)5)9(12)13-8-2/h7-8H2,1-6H3
- InChI Key
- LAFWOZVYMOJZBC-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCOC(=O)C(C)(CC)C(C)(C)C
- Molecular Weight1
- 186.29
- 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 | 0.4345 | Relay (1.0) Calculated Property | |
| ΔfG° | -186.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.012 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2085.03 | kPa | Joback Calculated Property |
| Inp | [1146.00; 1146.00] |
|
|
| Inp | 1146.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Tboil | 453.82 | K | Relay (1.0) Calculated Property |
| Tc | 657.92 | K | Relay (1.0) Calculated Property |
| Tfus | 310.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [421.01; 510.18] | J/mol×K | [520.91; 712.01] |
|
| Cp,gas | 421.01 | J/mol×K | 520.91 | Joback Calculated Property |
| Cp,gas | 438.07 | J/mol×K | 552.76 | Joback Calculated Property |
| Cp,gas | 454.19 | J/mol×K | 584.61 | Joback Calculated Property |
| Cp,gas | 469.43 | J/mol×K | 616.46 | Joback Calculated Property |
| Cp,gas | 483.81 | J/mol×K | 648.31 | Joback Calculated Property |
| Cp,gas | 497.38 | J/mol×K | 680.16 | Joback Calculated Property |
| Cp,gas | 510.18 | J/mol×K | 712.01 | Joback Calculated Property |
| η | [0.0001852; 0.0052121] | Pa×s | [290.73; 520.91] |
|
| η | 0.0052121 | Pa×s | 290.73 | Joback Calculated Property |
| η | 0.0021611 | Pa×s | 329.09 | Joback Calculated Property |
| η | 0.0010769 | Pa×s | 367.46 | Joback Calculated Property |
| η | 0.0006122 | Pa×s | 405.82 | Joback Calculated Property |
| η | 0.0003837 | Pa×s | 444.18 | Joback Calculated Property |
| η | 0.0002590 | Pa×s | 482.55 | Joback Calculated Property |
| η | 0.0001852 | Pa×s | 520.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-ethyl-2,3,3-trimethyl, ethyl ester.
Sources
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