- InChI
- InChI=1S/C12H24O2/c1-7-12(8-2,11(4,5)6)10(13)14-9-3/h7-9H2,1-6H3
- InChI Key
- PDIVLKNUSLZXIC-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCOC(=O)C(CC)(CC)C(C)(C)C
- Molecular Weight1
- 200.32
- 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 | 0.4602 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1846.75 | kPa | Joback Calculated Property |
| Inp | 1248.00 | NIST | |
| Tboil | 472.45 | K | Relay (1.0) Calculated Property |
| Tc | 679.68 | K | Relay (1.0) Calculated Property |
| Tfus | 318.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.46; 556.76] | J/mol×K | [525.92; 712.07] | 
|
| Cp,gas | 462.46 | J/mol×K | 525.92 | Joback Calculated Property |
| Cp,gas | 480.52 | J/mol×K | 556.95 | Joback Calculated Property |
| Cp,gas | 497.59 | J/mol×K | 587.97 | Joback Calculated Property |
| Cp,gas | 513.71 | J/mol×K | 619.00 | Joback Calculated Property |
| Cp,gas | 528.92 | J/mol×K | 650.02 | Joback Calculated Property |
| Cp,gas | 543.26 | J/mol×K | 681.05 | Joback Calculated Property |
| Cp,gas | 556.76 | J/mol×K | 712.07 | Joback Calculated Property |
| η | [0.0001552; 0.0093398] | Pa×s | [272.17; 525.92] |
|
| η | 0.0093398 | Pa×s | 272.17 | Joback Calculated Property |
| η | 0.0029810 | Pa×s | 314.46 | Joback Calculated Property |
| η | 0.0012473 | Pa×s | 356.75 | Joback Calculated Property |
| η | 0.0006278 | Pa×s | 399.04 | Joback Calculated Property |
| η | 0.0003604 | Pa×s | 441.34 | Joback Calculated Property |
| η | 0.0002280 | Pa×s | 483.63 | Joback Calculated Property |
| η | 0.0001552 | Pa×s | 525.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,2-diethyl-3,3-dimethyl, ethyl ester.
Sources
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