- InChI
- InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3
- InChI Key
- DOWWCCDWPKGNGX-UHFFFAOYSA-N
- Formula
- C7H12O4
- SMILES
- COC(=O)C1COC(C)(C)O1
- Molecular Weight1
- 160.17
- CAS
- 52373-72-5
- Other Names
-
- Methyl (R)-(+)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
- 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (R)-
- 1,3-Dioxolane-4-carboxylic acid, 2,2-dimethyl-, methyl ester, (4R)-
- (R)-2,2-Dimethyl-(1,3)-dioxolane-4-carboxylic methyl ester
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -374.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.15 | kJ/mol | Joback Calculated Property |
| log10WS | -0.40 | Crippen Calculated Property | |
| logPoct/wat | 0.311 | Crippen Calculated Property | |
| McVol | 117.810 | ml/mol | McGowan Calculated Property |
| Pc | 3585.64 | kPa | Joback Calculated Property |
| Inp | 1034.50 | NIST | |
| Tboil | 500.60 | K | Joback Calculated Property |
| Tc | 713.50 | K | Joback Calculated Property |
| Tfus | 324.51 | K | Joback Calculated Property |
| Vc | 0.431 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.60; 350.37] | J/mol×K | [500.60; 713.50] | 
|
| Cp,gas | 280.60 | J/mol×K | 500.60 | Joback Calculated Property |
| Cp,gas | 293.98 | J/mol×K | 536.08 | Joback Calculated Property |
| Cp,gas | 306.56 | J/mol×K | 571.57 | Joback Calculated Property |
| Cp,gas | 318.40 | J/mol×K | 607.05 | Joback Calculated Property |
| Cp,gas | 329.60 | J/mol×K | 642.53 | Joback Calculated Property |
| Cp,gas | 340.23 | J/mol×K | 678.01 | Joback Calculated Property |
| Cp,gas | 350.37 | J/mol×K | 713.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl «alpha»,«beta»-isopropylidene-D-glycerate.
Sources
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