- InChI
- InChI=1S/C17H34O4/c1-6-7-8-19-9-10-20-11-12-21-16(18)13-15(2)14-17(3,4)5/h15H,6-14H2,1-5H3
- InChI Key
- HXJMQMMAHSUMPT-UHFFFAOYSA-N
- Formula
- C17H34O4
- SMILES
- CCCCOCCOCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 302.45
- 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 | -985.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.59 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.825 | Crippen Calculated Property | |
| McVol | 269.570 | ml/mol | McGowan Calculated Property |
| Pc | 1229.42 | kPa | Joback Calculated Property |
| Inp | [1875.00; 1875.00] |
|
|
| Inp | 1875.00 | NIST | |
| Inp | 1875.00 | NIST | |
| Tboil | 573.43 | K | Relay (1.0) Calculated Property |
| Tc | 749.25 | K | Relay (1.0) Calculated Property |
| Tfus | 219.20 | 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 | [411.49; 943.49] | 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 | 3.76890e+01 | |||
| Coefficient B | 1.56940e+00 | |||
| Coefficient C | -7.59400e-04 | |||
| Coefficient D | 9.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 411.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 502.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 584.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 657.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 723.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 781.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 832.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 876.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 913.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 943.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020719; 0.0000794] | Pa×s | [355.56; 603.46] |
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 | -1.41201e+01 | |||
| Coefficient B | 2.82342e+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. | 355.56 | |||
| Temperature range, max. | 603.46 | |||
| η | 0.0020719 | Pa×s | 355.56 | Calculated Property |
| η | 0.0011706 | Pa×s | 383.10 | Calculated Property |
| η | 0.0007141 | Pa×s | 410.65 | Calculated Property |
| η | 0.0004635 | Pa×s | 438.19 | Calculated Property |
| η | 0.0003166 | Pa×s | 465.74 | Calculated Property |
| η | 0.0002257 | Pa×s | 493.28 | Calculated Property |
| η | 0.0001668 | Pa×s | 520.82 | Calculated Property |
| η | 0.0001270 | Pa×s | 548.37 | Calculated Property |
| η | 0.0000993 | Pa×s | 575.91 | Calculated Property |
| η | 0.0000794 | Pa×s | 603.46 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-(2-Butoxyethoxy)ethyl 3,5,5-trimethylhexanoate.
Sources
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