- InChI
- InChI=1S/C12H24O2/c1-8-14-10(13)12(7,9(2)3)11(4,5)6/h9H,8H2,1-7H3
- InChI Key
- AYKXSKJFLXRXGM-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCOC(=O)C(C)(C(C)C)C(C)(C)C
- Molecular Weight1
- 200.32
- Other Names
-
- Butanoic acid, 2,3,3-trimethyl-2-(1-methylethyl), ethyl ester
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.4374 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -585.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.258 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | 1237.00 | NIST | |
| Tboil | 461.52 | K | Relay (1.0) Calculated Property |
| Tc | 674.98 | K | Relay (1.0) Calculated Property |
| Tfus | 286.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.639 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.67; 558.93] | J/mol×K | [525.48; 715.49] | 
|
| Cp,gas | 462.67 | J/mol×K | 525.48 | Joback Calculated Property |
| Cp,gas | 481.17 | J/mol×K | 557.15 | Joback Calculated Property |
| Cp,gas | 498.63 | J/mol×K | 588.82 | Joback Calculated Property |
| Cp,gas | 515.10 | J/mol×K | 620.48 | Joback Calculated Property |
| Cp,gas | 530.61 | J/mol×K | 652.15 | Joback Calculated Property |
| Cp,gas | 545.21 | J/mol×K | 683.82 | Joback Calculated Property |
| Cp,gas | 558.93 | J/mol×K | 715.49 | Joback Calculated Property |
| η | [0.0001464; 0.0155279] | Pa×s | [257.17; 525.48] |
|
| η | 0.0155279 | Pa×s | 257.17 | Joback Calculated Property |
| η | 0.0040134 | Pa×s | 301.89 | Joback Calculated Property |
| η | 0.0014707 | Pa×s | 346.61 | Joback Calculated Property |
| η | 0.0006779 | Pa×s | 391.33 | Joback Calculated Property |
| η | 0.0003663 | Pa×s | 436.04 | Joback Calculated Property |
| η | 0.0002219 | Pa×s | 480.76 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 525.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-isopropyl-2,3,3-trimethyl, ethyl ester.
Sources
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