- InChI
- InChI=1S/C8H12O3/c1-3-8(2)4-6(9)11-7(10)5-8/h3-5H2,1-2H3
- InChI Key
- VSVZSLYJGKSCBI-UHFFFAOYSA-N
- Formula
- C8H12O3
- SMILES
- CCC1(C)CC(=O)OC(=O)C1
- Molecular Weight1
- 156.18
- CAS
- 6970-57-6
- Other Names
-
- «beta»-Methyl-«beta»-ethylglutaric anhydride
- 2H-Pyran-2,6(3H)-dione, 4-ethyldihydro-4-methyl-
- ω : Acentric Factor.
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4492 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.266 | Crippen Calculated Property | |
| McVol | 121.730 | ml/mol | McGowan Calculated Property |
| Pc | 3564.27 | kPa | Joback Calculated Property |
| Tboil | 532.20 | K | Relay (1.0) Calculated Property |
| Tc | 709.89 | K | Relay (1.0) Calculated Property |
| Tfus | 334.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.418 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.05; 389.09] | J/mol×K | [564.82; 809.13] | 
|
| Cp,gas | 305.05 | J/mol×K | 564.82 | Joback Calculated Property |
| Cp,gas | 320.82 | J/mol×K | 605.54 | Joback Calculated Property |
| Cp,gas | 335.80 | J/mol×K | 646.26 | Joback Calculated Property |
| Cp,gas | 350.05 | J/mol×K | 686.98 | Joback Calculated Property |
| Cp,gas | 363.64 | J/mol×K | 727.69 | Joback Calculated Property |
| Cp,gas | 376.63 | J/mol×K | 768.41 | Joback Calculated Property |
| Cp,gas | 389.09 | J/mol×K | 809.13 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 458.20 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 3-Ethyl-3-methylglutaric anhydride.
Sources
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