- InChI
- InChI=1S/C10H10O2/c1-10(2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3
- InChI Key
- YFBZUWUJSCLVST-UHFFFAOYSA-N
- Formula
- C10H10O2
- SMILES
- CC1(C)OC(=O)c2ccccc21
- Molecular Weight1
- 162.19
- CAS
- 1689-09-4
- Other Names
-
- 1,3-2H-Isobenzofuranone, 3,3-dimethyl-
- 3,3-dimethylphthalide
- 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 | 0.4572 | Relay (... Calculated Property | |
| ΔfG° | -17.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -294.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.09 | kJ/mol | Relay (... Calculated Property |
| IE | 9.14 | eV | Relay (... Calculated Property |
| log10WS | -2.59 | Relay (... Calculated Property | |
| logPoct/wat | 2.092 | Crippen Calculated Property | |
| McVol | 124.580 | ml/mol | McGowan Calculated Property |
| Pc | 3624.61 | kPa | Joback Calculated Property |
| Tboil | 531.09 | K | Relay (... Calculated Property |
| Tc | 759.19 | K | Relay (... Calculated Property |
| Tfus | 342.83 | K | Relay (... Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.30; 369.53] | J/mol×K | [561.61; 809.29] | 
|
| Cp,gas | 297.30 | J/mol×K | 561.61 | Joback Calculated Property |
| Cp,gas | 311.23 | J/mol×K | 602.89 | Joback Calculated Property |
| Cp,gas | 324.18 | J/mol×K | 644.17 | Joback Calculated Property |
| Cp,gas | 336.32 | J/mol×K | 685.45 | Joback Calculated Property |
| Cp,gas | 347.82 | J/mol×K | 726.73 | Joback Calculated Property |
| Cp,gas | 358.84 | J/mol×K | 768.01 | Joback Calculated Property |
| Cp,gas | 369.53 | J/mol×K | 809.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1(3H)-Isobenzofuranone, 3,3-dimethyl-.
Sources
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