- InChI
- InChI=1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3
- InChI Key
- OEMSKMUAMXLNKL-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- CC1=CCC2C(=O)OC(=O)C2C1
- Molecular Weight1
- 166.17
- CAS
- 26590-20-5
- 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).
- 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 | 0.3921 | Relay (... Calculated Property | |
| ΔfG° | -200.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.05 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.56 | kJ/mol | Relay (... Calculated Property |
| IE | 9.81 | eV | Relay (... Calculated Property |
| log10WS | -2.10 | Relay (... Calculated Property | |
| logPoct/wat | 1.042 | Crippen Calculated Property | |
| McVol | 120.660 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Tboil | 556.57 | K | Relay (... Calculated Property |
| Tc | 762.77 | K | Relay (... Calculated Property |
| Tfus | 403.32 | K | Relay (... Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.84; 401.13] | J/mol×K | [598.34; 849.13] | 
|
| Cp,gas | 318.84 | J/mol×K | 598.34 | Joback Calculated Property |
| Cp,gas | 335.09 | J/mol×K | 640.14 | Joback Calculated Property |
| Cp,gas | 350.36 | J/mol×K | 681.94 | Joback Calculated Property |
| Cp,gas | 364.62 | J/mol×K | 723.74 | Joback Calculated Property |
| Cp,gas | 377.85 | J/mol×K | 765.54 | Joback Calculated Property |
| Cp,gas | 390.03 | J/mol×K | 807.33 | Joback Calculated Property |
| Cp,gas | 401.13 | J/mol×K | 849.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3,6-tetrahydromethylphthalic anhydride.
Sources
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