- InChI
- InChI=1S/C8H16O2/c1-7(2)5-8-3-4-9-6-10-8/h7-8H,3-6H2,1-2H3
- InChI Key
- ZRTAVZIDNPIUIG-UHFFFAOYSA-N
- Formula
- C8H16O2
- SMILES
- CC(C)CC1CCOCO1
- Molecular Weight1
- 144.21
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -429.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.796 | Crippen Calculated Property | |
| McVol | 124.460 | ml/mol | McGowan Calculated Property |
| Inp | [938.00; 945.00] |
|
|
| Inp | 938.00 | NIST | |
| Inp | 945.00 | NIST | |
| Ip | [1167.00; 1181.00] |
|
|
| Ip | 1167.00 | NIST | |
| Ip | 1181.00 | NIST | |
| Ip | 1167.00 | NIST | |
| Tboil | 446.45 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [171.48; 456.71] | 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 | -3.70290e+01 | |||
| Coefficient B | 8.85840e-01 | |||
| Coefficient C | -4.67800e-04 | |||
| Coefficient D | 7.57000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 265.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 305.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 371.73 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 398.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 421.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 440.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 456.71 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0138481; 0.0003034] | Pa×s | [225.44; 462.78] |
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 | -1.17297e+01 | |||
| Coefficient B | 1.67955e+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. | 225.44 | |||
| Temperature range, max. | 462.78 | |||
| η | 0.0138481 | Pa×s | 225.44 | Calculated Property |
| η | 0.0063467 | Pa×s | 251.81 | Calculated Property |
| η | 0.0033725 | Pa×s | 278.18 | Calculated Property |
| η | 0.0019994 | Pa×s | 304.55 | Calculated Property |
| η | 0.0012884 | Pa×s | 330.92 | Calculated Property |
| η | 0.0008858 | Pa×s | 357.30 | Calculated Property |
| η | 0.0006413 | Pa×s | 383.67 | Calculated Property |
| η | 0.0004839 | Pa×s | 410.04 | Calculated Property |
| η | 0.0003778 | Pa×s | 436.41 | Calculated Property |
| η | 0.0003034 | Pa×s | 462.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 4-(2-methylpropyl).
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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