- InChI
- InChI=1S/C6H10O4/c1-4(7)10-6(2,3)5(8)9/h1-3H3,(H,8,9)
- InChI Key
- NIWFXRKHWKGFMT-UHFFFAOYSA-N
- Formula
- C6H10O4
- SMILES
- CC(=O)OC(C)(C)C(=O)O
- Molecular Weight1
- 146.14
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6414 | Relay (1.0) Calculated Property | |
| ΔfG° | -497.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -831.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.413 | Crippen Calculated Property | |
| McVol | 110.280 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Inp | 1092.00 | NIST | |
| Tboil | 467.48 | K | Relay (1.0) Calculated Property |
| Tc | 652.53 | K | Relay (1.0) Calculated Property |
| Tfus | 342.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.74; 307.03] | J/mol×K | [555.79; 745.30] | 
|
| Cp,gas | 261.74 | J/mol×K | 555.79 | Joback Calculated Property |
| Cp,gas | 270.41 | J/mol×K | 587.37 | Joback Calculated Property |
| Cp,gas | 278.62 | J/mol×K | 618.96 | Joback Calculated Property |
| Cp,gas | 286.37 | J/mol×K | 650.54 | Joback Calculated Property |
| Cp,gas | 293.68 | J/mol×K | 682.13 | Joback Calculated Property |
| Cp,gas | 300.57 | J/mol×K | 713.71 | Joback Calculated Property |
| Cp,gas | 307.03 | J/mol×K | 745.30 | Joback Calculated Property |
| η | [0.0001230; 0.0058366] | Pa×s | [342.71; 555.79] |
|
| η | 0.0058366 | Pa×s | 342.71 | Joback Calculated Property |
| η | 0.0022681 | Pa×s | 378.22 | Joback Calculated Property |
| η | 0.0010366 | Pa×s | 413.74 | Joback Calculated Property |
| η | 0.0005362 | Pa×s | 449.25 | Joback Calculated Property |
| η | 0.0003055 | Pa×s | 484.76 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 520.28 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 555.79 | Joback Calculated Property |
Similar Compounds
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Sources
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