- InChI
- InChI=1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3
- InChI Key
- MGICRVTUCPFQQZ-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- CC1CC(=O)OC(=O)C1
- Molecular Weight1
- 128.13
- CAS
- 4166-53-4
- Other Names
-
- «beta»-Methylglutaric anhydride
- 2H-Pyran-2,6(3H)-dione, dihydro-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 | 0.4361 | Relay (1.0) Calculated Property | |
| ΔfG° | -307.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.486 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 4283.05 | kPa | Joback Calculated Property |
| Tboil | 516.35 | K | Relay (1.0) Calculated Property |
| Tc | 695.50 | K | Relay (1.0) Calculated Property |
| Tfus | 317.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.328 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.69; 289.44] | J/mol×K | [518.82; 762.74] | 
|
| Cp,gas | 215.69 | J/mol×K | 518.82 | Joback Calculated Property |
| Cp,gas | 229.51 | J/mol×K | 559.47 | Joback Calculated Property |
| Cp,gas | 242.81 | J/mol×K | 600.13 | Joback Calculated Property |
| Cp,gas | 255.52 | J/mol×K | 640.78 | Joback Calculated Property |
| Cp,gas | 267.57 | J/mol×K | 681.44 | Joback Calculated Property |
| Cp,gas | 278.90 | J/mol×K | 722.09 | Joback Calculated Property |
| Cp,gas | 289.44 | J/mol×K | 762.74 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 454.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to 3-Methylglutaric anhydride.
Sources
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