- InChI
- InChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1
- InChI Key
- RNVYQYLELCKWAN-RXMQYKEDSA-N
- Formula
- C6H12O3
- SMILES
- CC1(C)OCC(CO)O1
- Molecular Weight1
- 132.16
- CAS
- 22323-82-6
- Other Names
-
- (S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol
- (2,2-Dimethyl-1,3-dioxolan-4-yl)methanol, (L)-
- (+)-Solketal
- (S)-2,2-dimethyl-1,3-dioxolane-4-methanol
- L-Acetone glycerol
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.5401 | Relay (... Calculated Property | |
| ΔcH°liquid | -3386.00 | kJ/mol | NIST |
| ΔfG° | -286.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -585.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.12 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | 0.28 | Relay (... Calculated Property | |
| logPoct/wat | 0.130 | Crippen Calculated Property | |
| McVol | 102.150 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Tboil | 458.67 | K | Relay (... Calculated Property |
| Tc | 646.31 | K | Relay (... Calculated Property |
| Tfus | 313.93 | K | Relay (... Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.77; 307.33] | J/mol×K | [493.61; 688.06] | 
|
| Cp,gas | 247.77 | J/mol×K | 493.61 | Joback Calculated Property |
| Cp,gas | 259.23 | J/mol×K | 526.02 | Joback Calculated Property |
| Cp,gas | 269.97 | J/mol×K | 558.43 | Joback Calculated Property |
| Cp,gas | 280.08 | J/mol×K | 590.84 | Joback Calculated Property |
| Cp,gas | 289.63 | J/mol×K | 623.24 | Joback Calculated Property |
| Cp,gas | 298.69 | J/mol×K | 655.65 | Joback Calculated Property |
| Cp,gas | 307.33 | J/mol×K | 688.06 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.70 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (S)-.
Sources
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