- InChI
- InChI=1S/C15H30O3/c1-6-7-8-17-9-10-18-14(16)11-13(2)12-15(3,4)5/h13H,6-12H2,1-5H3
- InChI Key
- FKSRCXOXNDMDDE-UHFFFAOYSA-N
- Formula
- C15H30O3
- SMILES
- CCCCOCCOC(=O)CC(C)CC(C)(C)C
- Molecular Weight1
- 258.40
- 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 | -820.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.79 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.809 | Crippen Calculated Property | |
| McVol | 235.520 | ml/mol | McGowan Calculated Property |
| Pc | 1431.55 | kPa | Joback Calculated Property |
| Inp | [1603.00; 1603.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Tboil | 533.44 | K | Relay (1.0) Calculated Property |
| Tc | 716.87 | K | Relay (1.0) Calculated Property |
| Tfus | 217.96 | 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 | [353.66; 821.81] | 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 | 1.40070e+01 | |||
| Coefficient B | 1.44260e+00 | |||
| Coefficient C | -7.61600e-04 | |||
| Coefficient D | 1.26800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 353.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 434.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 507.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 572.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 630.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 680.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 724.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 762.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 795.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 821.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0044824; 0.0001265] | Pa×s | [310.79; 556.16] |
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 | -1.34935e+01 | |||
| Coefficient B | 2.51301e+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. | 310.79 | |||
| Temperature range, max. | 556.16 | |||
| η | 0.0044824 | Pa×s | 310.79 | Calculated Property |
| η | 0.0023350 | Pa×s | 338.05 | Calculated Property |
| η | 0.0013408 | Pa×s | 365.32 | Calculated Property |
| η | 0.0008315 | Pa×s | 392.58 | Calculated Property |
| η | 0.0005487 | Pa×s | 419.84 | Calculated Property |
| η | 0.0003809 | Pa×s | 447.11 | Calculated Property |
| η | 0.0002758 | Pa×s | 474.37 | Calculated Property |
| η | 0.0002068 | Pa×s | 501.64 | Calculated Property |
| η | 0.0001597 | Pa×s | 528.90 | Calculated Property |
| η | 0.0001265 | Pa×s | 556.16 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butoxyethyl 3,5,5-trimethylhexanoate.
Sources
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