- InChI
- InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
- InChI Key
- VREPYGYMOSZTKJ-PHDIDXHHSA-N
- Formula
- C6H12O2
- SMILES
- CC1CCOC(C)O1
- Molecular Weight1
- 116.16
- CAS
- 15042-60-1
- Other Names
-
- trans-2,4-dimethyl-1,3-dioxane
- 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).
- 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 | -422.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.158 | Crippen Calculated Property | |
| McVol | 96.280 | ml/mol | McGowan Calculated Property |
| Tboil | 394.15 ± 5.00 | K | NIST |
| Tfus | 203.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [131.63; 359.65] | 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 | -2.75900e+01 | |||
| Coefficient B | 6.63440e-01 | |||
| Coefficient C | -3.00400e-04 | |||
| Coefficient D | 2.42000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 131.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 170.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.84 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 266.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 291.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 331.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 347.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 359.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052904; 0.0003148] | Pa×s | [213.66; 427.35] |
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 | -1.08850e+01 | |||
| Coefficient B | 1.20572e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 213.66 | |||
| Temperature range, max. | 427.35 | |||
| η | 0.0052904 | Pa×s | 213.66 | Calculated Property |
| η | 0.0030087 | Pa×s | 237.40 | Calculated Property |
| η | 0.0018960 | Pa×s | 261.15 | Calculated Property |
| η | 0.0012904 | Pa×s | 284.89 | Calculated Property |
| η | 0.0009318 | Pa×s | 308.63 | Calculated Property |
| η | 0.0007049 | Pa×s | 332.38 | Calculated Property |
| η | 0.0005535 | Pa×s | 356.12 | Calculated Property |
| η | 0.0004479 | Pa×s | 379.86 | Calculated Property |
| η | 0.0003716 | Pa×s | 403.61 | Calculated Property |
| η | 0.0003148 | Pa×s | 427.35 | Calculated Property |
Similar Compounds
Find more compounds similar to m-Dioxane, 2,4-dimethyl-, trans-.
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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