- InChI
- InChI=1S/C13H26O3/c1-6-15-7-8-16-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3
- InChI Key
- HJZJPDVJUZKWJK-UHFFFAOYSA-N
- Formula
- C13H26O3
- SMILES
- CCOCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 230.35
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -780.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.028 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Pc | 1664.61 | kPa | Joback Calculated Property |
| Inp | [1422.00; 1422.00] |
|
|
| Inp | 1422.00 | NIST | |
| Inp | 1422.00 | NIST | |
| Tboil | 506.14 | K | Relay (1.0) Calculated Property |
| Tc | 688.53 | K | Relay (1.0) Calculated Property |
| Tfus | 225.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [311.23; 718.62] | 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 | 1.58250e+01 | |||
| Coefficient B | 1.25260e+00 | |||
| Coefficient C | -6.52800e-04 | |||
| Coefficient D | 1.03000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 311.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 381.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 445.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 502.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 552.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 596.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 634.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 667.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 695.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 718.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058252; 0.0001523] | Pa×s | [288.25; 525.83] |
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 | -1.32104e+01 | |||
| Coefficient B | 2.32469e+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. | 288.25 | |||
| Temperature range, max. | 525.83 | |||
| η | 0.0058252 | Pa×s | 288.25 | Calculated Property |
| η | 0.0029611 | Pa×s | 314.65 | Calculated Property |
| η | 0.0016715 | Pa×s | 341.05 | Calculated Property |
| η | 0.0010243 | Pa×s | 367.44 | Calculated Property |
| η | 0.0006703 | Pa×s | 393.84 | Calculated Property |
| η | 0.0004626 | Pa×s | 420.24 | Calculated Property |
| η | 0.0003336 | Pa×s | 446.64 | Calculated Property |
| η | 0.0002495 | Pa×s | 473.04 | Calculated Property |
| η | 0.0001924 | Pa×s | 499.43 | Calculated Property |
| η | 0.0001523 | Pa×s | 525.83 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethoxyethyl 3,5,5-trimethylhexanoate.
Sources
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