- InChI
- InChI=1S/C9H12O3/c10-7-5-9(3-1-2-4-9)6-8(11)12-7/h1-6H2
- InChI Key
- GFWLMILMVMCJDI-UHFFFAOYSA-N
- Formula
- C9H12O3
- SMILES
- O=C1CC2(CCCC2)CC(=O)O1
- Molecular Weight1
- 168.19
- CAS
- 5662-95-3
- Other Names
-
- 1,1-Cyclopentanediacetic anhydride
- 3,3-Tetramethyleneglutaric acid anhydride
- 8-Oxaspiro[4.5]decane-7,9-dione
- cyclopentane-1,1-diacetic anhydride
- «beta»,«beta»-Tetramethyleneglutaric 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -562.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.65 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 96.40 ± 1.10 | kJ/mol | NIST |
| IE | 10.47 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.410 | Crippen Calculated Property | |
| McVol | 124.960 | ml/mol | McGowan Calculated Property |
| Tboil | 569.58 | K | Relay (1.0) Calculated Property |
| Tfus | 396.14 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 15.30 | kJ/mol | 338.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.25; 454.59] | 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 | -1.10110e+02 | |||
| Coefficient B | 1.23670e+00 | |||
| Coefficient C | -1.06280e-03 | |||
| Coefficient D | 3.90800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 156.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 211.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 258.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 298.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 332.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 361.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 386.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 410.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 432.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 454.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,3-Tetramethyleneglutaric anhydride.
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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