- InChI
- InChI=1S/C12H24O2/c1-5-8-10(4)9-14-12(13)11(6-2)7-3/h10-11H,5-9H2,1-4H3
- InChI Key
- CMLILCIKJQYHFF-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCCC(C)COC(=O)C(CC)CC
- 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).
- 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 | 0.5947 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -628.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.09 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.402 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [1182.00; 1182.00] |
|
|
| Inp | 1182.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Tboil | 482.01 | K | Relay (1.0) Calculated Property |
| Tc | 675.61 | K | Relay (1.0) Calculated Property |
| Tfus | 183.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.686 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Ionization energy, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [275.76; 647.61] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.40250e+01 | |||
| Coefficient B | 1.10088e+00 | |||
| Coefficient C | -5.40800e-04 | |||
| Coefficient D | 7.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 275.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 339.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 447.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 534.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 569.64 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 600.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 626.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 647.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0130987; 0.0002028] | Pa×s | [237.33; 493.46] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23651e+01 | |||
| Coefficient B | 1.90572e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 237.33 | |||
| Temperature range, max. | 493.46 | |||
| η | 0.0130987 | Pa×s | 237.33 | Calculated Property |
| η | 0.0055440 | Pa×s | 265.79 | Calculated Property |
| η | 0.0027711 | Pa×s | 294.25 | Calculated Property |
| η | 0.0015653 | Pa×s | 322.71 | Calculated Property |
| η | 0.0009700 | Pa×s | 351.17 | Calculated Property |
| η | 0.0006458 | Pa×s | 379.63 | Calculated Property |
| η | 0.0004550 | Pa×s | 408.09 | Calculated Property |
| η | 0.0003356 | Pa×s | 436.55 | Calculated Property |
| η | 0.0002569 | Pa×s | 465.00 | Calculated Property |
| η | 0.0002028 | Pa×s | 493.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2-methylpentyl ester.
Sources
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