- InChI
- InChI=1S/C6H12O2/c1-6(2)3-4-7-5-8-6/h3-5H2,1-2H3
- InChI Key
- GDKSTFXHMBGCPG-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CC1(C)CCOCO1
- Molecular Weight1
- 116.16
- CAS
- 766-15-4
- Other Names
-
- m-Dioxane, 4,4-dimethyl-
- 4,4-Dimethyl-m-dioxane
- 4,4-Dimethyl-1,3-dioxane
- 4,4-Dimethyldioxane-1,3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -153.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.25 | kJ/mol | Joback Calculated Property |
| IE | 9.80 | eV | NIST |
| log10WS | -1.01 | Crippen Calculated Property | |
| logPoct/wat | 1.159 | Crippen Calculated Property | |
| McVol | 96.280 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Tboil | [406.15; 406.50] | K |
|
| Tboil | 406.50 ± 0.60 | K | NIST |
| Tboil | 406.15 ± 1.50 | K | NIST |
| Tc | 625.18 | K | Joback Calculated Property |
| Tfus | 241.80 | K | Joback Calculated Property |
| Vc | 0.344 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.00; 268.70] | J/mol×K | [410.37; 625.18] |
|
| Cp,gas | 194.00 | J/mol×K | 410.37 | Joback Calculated Property |
| Cp,gas | 208.82 | J/mol×K | 446.17 | Joback Calculated Property |
| Cp,gas | 222.56 | J/mol×K | 481.97 | Joback Calculated Property |
| Cp,gas | 235.32 | J/mol×K | 517.77 | Joback Calculated Property |
| Cp,gas | 247.20 | J/mol×K | 553.57 | Joback Calculated Property |
| Cp,gas | 258.29 | J/mol×K | 589.38 | Joback Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 625.18 | Joback Calculated Property |
| ΔvapH | [37.10; 38.80] | kJ/mol | [370.00; 384.50] |
|
| ΔvapH | 37.10 | kJ/mol | 370.00 | NIST |
| ΔvapH | 38.80 | kJ/mol | 384.50 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Dioxane, 4,4-dimethyl-.
Sources
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