- InChI
- InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
- InChI Key
- RNVYQYLELCKWAN-UHFFFAOYSA-N
- Formula
- C6H12O3
- SMILES
- CC1(C)OCC(CO)O1
- Molecular Weight1
- 132.16
- CAS
- 100-79-8
- Other Names
-
- (.+/-.)-1,2-O-Isopropylideneglycerol
- (.+/-.)-Glycerol 1,2-acetonide
- (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
- (4RS)-2,2-Dimethyl-1,3-dioxolane-4-methanol
- (RS)-Solketal
- 1,2-Isopropylideneglycerin
- 1,2-Isopropylideneglycerol
- 1,2-O,O-Isopropylideneglycerin
- 1,2-O-Isopropylideneglycerol
- 2,2-Dimethyl-1,3-dioxolan-4-yl methanol
- 2,2-Dimethyl-4-(hydroxymethyl)-1,3-dioxacyclopentane
- 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane
- 2,2-Dimethyl-4-hydroxymethyldioxolane
- 2,2-Dimethyl-4-oxymethyl-1,3-dioxolane
- 2,2-Dimethyl-5-hydroxymethyl-1,3-dioxolane
- 2,2-dimethyl-1,3-dioxolane-4-methanol
- 2,3-(Isopropylidenedioxy)propanol
- 2,3-Isopropylideneglycerol
- 2,3-O-Isopropylideneglycerol
- 4-Hydroxymethyl-2,2-dimethyl-1,3-dioxolane
- Acetone monoglycerol ketal
- Acetone, cyclic (hydroxymethyl)ethylene acetal
- Dioxolan
- GIE
- Glycerinisopropylidene ether
- Glycerol acetonide
- Glycerol dimethylketal
- Glycerol, 1,2-O-isopropylidene
- Glycerolacetone
- Isopropylidene glycerol
- NSC 59720
- Racemic solketal
- Solketal
- dl-«alpha»,«beta»-Isopropylideneglycerol
- «alpha»,«beta»-Isopropylideneglycerol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρl : Liquid Density (kg/m3).
- 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 |
|---|---|---|---|
| η | 0.0100600 | Pa×s | Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents |
| ΔfusH° | 20.05 | kJ/mol | Joback Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.130 | Crippen Calculated Property | |
| McVol | 102.150 | ml/mol | McGowan Calculated Property |
| Tboil | 461.70 | K | NIST |
| Tfus | 246.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 |
|---|---|---|---|---|
| ρl | 1069.30 | kg/m3 | 298.15 | Liquid-liquid equilibria for ternary mixtures of 2,2-dimethyl-1,3-dioxolane-4-methanol with n-heptane, toluene, ethanol and water |
Datasets
Viscosity, Pa*s
| Fixed | Measured | |
|---|---|---|
| Temperature, K - Liquid | Pressure, kPa - Liquid | Viscosity, Pa*s - Liquid |
| 298.15 | 100.00 | 0.0101 |
| Reference | ||
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.10; 383.87] | 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 | -6.71690e+01 | |||
| Coefficient B | 9.98940e-01 | |||
| Coefficient C | -9.09800e-04 | |||
| Coefficient D | 3.61900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 224.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 255.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 281.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 324.82 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 344.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 363.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 383.87 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane-4-methanol, 2,2-dimethyl-.
Mixtures
- Ethanol + 1,3-Dioxolane-4-methanol, 2,2-dimethyl- + Heptane
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl- + Heptane + Water
- Toluene + 1,3-Dioxolane-4-methanol, 2,2-dimethyl- + Water
- 1,3-Dioxolane-4-methanol, 2,2-dimethyl- + Heptane
- Ammonia + 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
- Carbon dioxide + 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
- Oleic Acid + Carbon dioxide + 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
- Glycerin + Acetone + 1,3-Dioxolane-4-methanol, 2,2-dimethyl-
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- 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
- Liquid-liquid equilibria for ternary mixtures of 2,2-dimethyl-1,3-dioxolane-4-methanol with n-heptane, toluene, ethanol and water
- Solubilities and Thermodynamic Properties of Carbon Dioxide in Some Biobased Solvents
- Solubilities and Thermodynamic Properties of NH3 in Glycerin and its Derivatives
- Vapor Liquid Equilibrium Data for Carbon Dioxide + (R,S)-1,2-Isopropylidene Glycerol (Solketal) + Oleic Acid Systems at High Pressure
- Liquid-liquid equilibria for the system acetone + solketal + glycerol at 303.2, 313.2 and 323.2 K
- Joback Method
- McGowan Method
- NIST Webbook
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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