- InChI
- InChI=1S/C7H12O5/c1-7(10,6(9)12-3)4-5(8)11-2/h10H,4H2,1-3H3
- InChI Key
- GMSSNUSBKDUVFC-UHFFFAOYSA-N
- Formula
- C7H12O5
- SMILES
- COC(=O)CC(C)(O)C(=O)OC
- Molecular Weight1
- 176.17
- CAS
- 19020-62-3
- 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).
- 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° | -593.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.87 | kJ/mol | Joback Calculated Property |
| log10WS | 0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.527 | Crippen Calculated Property | |
| McVol | 130.240 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Inp | [1087.00; 1115.50] |
|
|
| Inp | 1115.50 | NIST | |
| Inp | 1087.00 | NIST | |
| Inp | 1087.00 | NIST | |
| Tboil | 601.09 | K | Joback Calculated Property |
| Tc | 787.29 | K | Joback Calculated Property |
| Tfus | 376.21 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.87; 378.78] | J/mol×K | [601.09; 787.29] |
|
| Cp,gas | 328.87 | J/mol×K | 601.09 | Joback Calculated Property |
| Cp,gas | 338.38 | J/mol×K | 632.12 | Joback Calculated Property |
| Cp,gas | 347.41 | J/mol×K | 663.16 | Joback Calculated Property |
| Cp,gas | 355.95 | J/mol×K | 694.19 | Joback Calculated Property |
| Cp,gas | 364.03 | J/mol×K | 725.22 | Joback Calculated Property |
| Cp,gas | 371.63 | J/mol×K | 756.26 | Joback Calculated Property |
| Cp,gas | 378.78 | J/mol×K | 787.29 | Joback Calculated Property |
| η | [0.0000742; 0.0028417] | Pa×s | [376.21; 601.09] |
|
| η | 0.0028417 | Pa×s | 376.21 | Joback Calculated Property |
| η | 0.0011753 | Pa×s | 413.69 | Joback Calculated Property |
| η | 0.0005629 | Pa×s | 451.17 | Joback Calculated Property |
| η | 0.0003018 | Pa×s | 488.65 | Joback Calculated Property |
| η | 0.0001768 | Pa×s | 526.13 | Joback Calculated Property |
| η | 0.0001113 | Pa×s | 563.61 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 601.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethyl 2-hydroxy-2-methylbutane-1,4-dioate.
Sources
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