- InChI
- InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
- InChI Key
- VREPYGYMOSZTKJ-NTSWFWBYSA-N
- Formula
- C6H12O2
- SMILES
- CC1CCOC(C)O1
- Molecular Weight1
- 116.16
- CAS
- 15042-59-8
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-3610.80; -3608.30] | kJ/mol |
|
| ΔcH°liquid | -3610.80 ± 4.20 | kJ/mol | NIST |
| ΔcH°liquid | -3608.30 ± 1.40 | kJ/mol | NIST |
| ΔfH°gas | [-428.00; -425.20] | kJ/mol |
|
| ΔfH°gas | -425.20 | kJ/mol | NIST |
| ΔfH°gas | -428.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | [-468.00; -465.20] | kJ/mol |
|
| ΔfH°liquid | -465.20 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -468.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.00; 40.00] | kJ/mol |
|
| ΔvapH° | 40.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 40.00 | kJ/mol | NIST |
| 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 | 390.65 ± 1.50 | K | NIST |
| Tfus | 206.80 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.64; 270.89] | J/mol×K | [405.46; 610.20] |
|
| Cp,gas | 193.64 | J/mol×K | 405.46 | Joback Calculated Property |
| Cp,gas | 208.06 | J/mol×K | 439.58 | Joback Calculated Property |
| Cp,gas | 221.85 | J/mol×K | 473.71 | Joback Calculated Property |
| Cp,gas | 235.02 | J/mol×K | 507.83 | Joback Calculated Property |
| Cp,gas | 247.58 | J/mol×K | 541.95 | Joback Calculated Property |
| Cp,gas | 259.54 | J/mol×K | 576.08 | Joback Calculated Property |
| Cp,gas | 270.89 | J/mol×K | 610.20 | Joback Calculated Property |
| η | [0.0003666; 0.0052904] | Pa×s | [213.66; 405.46] |
|
| η | 0.0052904 | Pa×s | 213.66 | Joback Calculated Property |
| η | 0.0025382 | Pa×s | 245.63 | Joback Calculated Property |
| η | 0.0014422 | Pa×s | 277.59 | Joback Calculated Property |
| η | 0.0009210 | Pa×s | 309.56 | Joback Calculated Property |
| η | 0.0006396 | Pa×s | 341.53 | Joback Calculated Property |
| η | 0.0004728 | Pa×s | 373.49 | Joback Calculated Property |
| η | 0.0003666 | Pa×s | 405.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-2,4-Dimethyl-1,3-dioxane.
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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