- InChI
- InChI=1S/C8H14O4/c1-5-6(7(9)10-4)12-8(2,3)11-5/h5-6H,1-4H3
- InChI Key
- AELKYRWKHKGMAD-UHFFFAOYSA-N
- Formula
- C8H14O4
- SMILES
- COC(=O)C1OC(C)(C)OC1C
- Molecular Weight1
- 174.19
- CAS
- 38410-80-9
- 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° | -374.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.07 | kJ/mol | Joback Calculated Property |
| log10WS | -0.93 | Crippen Calculated Property | |
| logPoct/wat | 0.699 | Crippen Calculated Property | |
| McVol | 131.900 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Inp | 1037.50 | NIST | |
| Tboil | 518.81 | K | Joback Calculated Property |
| Tc | 728.24 | K | Joback Calculated Property |
| Tfus | 331.54 | K | Joback Calculated Property |
| Vc | 0.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.15; 403.63] | J/mol×K | [518.81; 728.24] | 
|
| Cp,gas | 326.15 | J/mol×K | 518.81 | Joback Calculated Property |
| Cp,gas | 340.84 | J/mol×K | 553.72 | Joback Calculated Property |
| Cp,gas | 354.72 | J/mol×K | 588.62 | Joback Calculated Property |
| Cp,gas | 367.87 | J/mol×K | 623.53 | Joback Calculated Property |
| Cp,gas | 380.36 | J/mol×K | 658.43 | Joback Calculated Property |
| Cp,gas | 392.25 | J/mol×K | 693.34 | Joback Calculated Property |
| Cp,gas | 403.63 | J/mol×K | 728.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl (4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylate.
Sources
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