![3,6-Dimethyl-benzo-[b]-furan-2(3H)-one](/cid/85-933-2/3-6-Dimethyl-benzo-b-furan-2-3H-one.png "3,6-Dimethyl-benzo-[b]-furan-2(3H)-one")
- InChI
- InChI=1S/C10H10O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h3-5,7H,1-2H3
- InChI Key
- JSJKAEKKWQOCEZ-UHFFFAOYSA-N
- Formula
- C10H10O2
- SMILES
- Cc1ccc2c(c1)OC(=O)C2C
- Molecular Weight1
- 162.19
- 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).
- 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).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -21.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -233.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.12 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 2.018 | Crippen Calculated Property | |
| McVol | 124.580 | ml/mol | McGowan Calculated Property |
| Pc | 3376.28 | kPa | Joback Calculated Property |
| I | [2116.00; 2116.00] |
|
|
| I | 2116.00 | NIST | |
| I | 2116.00 | NIST | |
| Tboil | 566.35 | K | Joback Calculated Property |
| Tc | 804.88 | K | Joback Calculated Property |
| Tfus | 366.65 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [297.91; 369.95] | J/mol×K | [566.35; 804.88] |
|
| Cp,gas | 297.91 | J/mol×K | 566.35 | Joback Calculated Property |
| Cp,gas | 311.96 | J/mol×K | 606.11 | Joback Calculated Property |
| Cp,gas | 325.16 | J/mol×K | 645.86 | Joback Calculated Property |
| Cp,gas | 337.54 | J/mol×K | 685.62 | Joback Calculated Property |
| Cp,gas | 349.12 | J/mol×K | 725.37 | Joback Calculated Property |
| Cp,gas | 359.91 | J/mol×K | 765.13 | Joback Calculated Property |
| Cp,gas | 369.95 | J/mol×K | 804.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,6-Dimethyl-benzo-[b]-furan-2(3H)-one.
Sources
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