- InChI
- InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3
- InChI Key
- HIJQFTSZBHDYKW-UHFFFAOYSA-N
- Formula
- C7H10O3
- SMILES
- CC1(C)CC(=O)OC(=O)C1
- Molecular Weight1
- 142.15
- CAS
- 4160-82-1
- Other Names
-
- 3,3-Dimethyladipic anhydride
- 3,3-Dimethylglutaric anhydride
- Glutaric anhydride, 3,3-dimethyl-
- Glutaric anhydride, «beta»,«beta»-dimethyl-
- dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dione
- «beta»,«beta»-Dimethylglutaric anhydride
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -581.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.50 | kJ/mol | Joback Calculated Property |
| IE | 10.81 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.876 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Tboil | 511.44 | K | Relay (1.0) Calculated Property |
| Tfus | 386.58 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 454.20 | K | 3.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.42; 376.55] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.69900e+01 | |||
| Coefficient B | 8.78940e-01 | |||
| Coefficient C | -7.24800e-04 | |||
| Coefficient D | 2.69400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 185.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 220.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 250.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 299.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 320.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 339.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 357.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 376.55 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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