- InChI
- InChI=1S/C11H20O3/c1-3-9(4-2)11(12)14-8-10-6-5-7-13-10/h9-10H,3-8H2,1-2H3
- InChI Key
- XDCJLVSQPWWLJL-UHFFFAOYSA-N
- Formula
- C11H20O3
- SMILES
- CCC(CC)C(=O)OCC1CCCO1
- Molecular Weight1
- 200.28
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -658.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.145 | Crippen Calculated Property | |
| McVol | 168.300 | ml/mol | McGowan Calculated Property |
| Inp | [1355.00; 1355.00] |
|
|
| Inp | 1355.00 | NIST | |
| Inp | 1355.00 | NIST | |
| Tboil | 518.33 | K | Relay (1.0) Calculated Property |
| Tfus | 214.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [238.99; 598.29] | 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 | -2.65470e+01 | |||
| Coefficient B | 1.12864e+00 | |||
| Coefficient C | -5.96700e-04 | |||
| Coefficient D | 9.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 238.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 302.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 358.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 409.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 453.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 492.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 526.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 555.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 578.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 598.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0070874; 0.0002865] | Pa×s | [278.53; 523.05] |
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 | -1.18123e+01 | |||
| Coefficient B | 1.91151e+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. | 278.53 | |||
| Temperature range, max. | 523.05 | |||
| η | 0.0070874 | Pa×s | 278.53 | Calculated Property |
| η | 0.0038512 | Pa×s | 305.70 | Calculated Property |
| η | 0.0023117 | Pa×s | 332.87 | Calculated Property |
| η | 0.0014988 | Pa×s | 360.04 | Calculated Property |
| η | 0.0010326 | Pa×s | 387.21 | Calculated Property |
| η | 0.0007471 | Pa×s | 414.38 | Calculated Property |
| η | 0.0005625 | Pa×s | 441.55 | Calculated Property |
| η | 0.0004376 | Pa×s | 468.71 | Calculated Property |
| η | 0.0003500 | Pa×s | 495.88 | Calculated Property |
| η | 0.0002865 | Pa×s | 523.05 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, tetrahydrofurfuryl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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