- InChI
- InChI=1S/C11H22O2/c1-7-13-10(12)9(8(2)3)11(4,5)6/h8-9H,7H2,1-6H3
- InChI Key
- RSBMHLDDEJRKMZ-UHFFFAOYSA-N
- Formula
- C11H22O2
- SMILES
- CCOC(=O)C(C(C)C)C(C)(C)C
- Molecular Weight1
- 186.30
- Other Names
-
- Butanoic acid, 2-isopropyl-3,3-dimethyl, ethyl ester
- 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 | 0.4542 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.868 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 2003.70 | kPa | Joback Calculated Property |
| Inp | [1102.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Tboil | 438.75 | K | Relay (1.0) Calculated Property |
| Tc | 655.67 | K | Relay (1.0) Calculated Property |
| Tfus | 238.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.54; 502.05] | J/mol×K | [505.39; 690.53] |
|
| Cp,gas | 411.54 | J/mol×K | 505.39 | Joback Calculated Property |
| Cp,gas | 428.66 | J/mol×K | 536.25 | Joback Calculated Property |
| Cp,gas | 444.93 | J/mol×K | 567.10 | Joback Calculated Property |
| Cp,gas | 460.38 | J/mol×K | 597.96 | Joback Calculated Property |
| Cp,gas | 475.04 | J/mol×K | 628.81 | Joback Calculated Property |
| Cp,gas | 488.92 | J/mol×K | 659.67 | Joback Calculated Property |
| Cp,gas | 502.05 | J/mol×K | 690.53 | Joback Calculated Property |
| η | [0.0001646; 0.0225699] | Pa×s | [228.48; 505.39] |
|
| η | 0.0225699 | Pa×s | 228.48 | Joback Calculated Property |
| η | 0.0049892 | Pa×s | 274.63 | Joback Calculated Property |
| η | 0.0017027 | Pa×s | 320.78 | Joback Calculated Property |
| η | 0.0007616 | Pa×s | 366.94 | Joback Calculated Property |
| η | 0.0004077 | Pa×s | 413.09 | Joback Calculated Property |
| η | 0.0002475 | Pa×s | 459.24 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 505.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 3,3-dimethyl-2-(1-methylethyl), ethyl ester.
Sources
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