- InChI
- InChI=1S/C6H8O/c1-5-3-7-4-6(5)2/h3-4H,1-2H3
- InChI Key
- IVHPMIPYSOTYNM-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- Cc1cocc1C
- Molecular Weight1
- 96.13
- CAS
- 20843-07-6
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 869.00 | kJ/mol | NIST |
| BasG | 838.30 | kJ/mol | NIST |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 1.896 | Crippen Calculated Property | |
| McVol | 81.810 | ml/mol | McGowan Calculated Property |
| Inp | 724.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [322.20; 367.20] | K | [16.70; 96.00] |
|
| Tboilr | 322.20 | K | 16.70 | NIST |
| Tboilr | 367.20 | K | 96.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [259.34; 389.13] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38435e+01 | |||
| Coefficient B | -2.98801e+03 | |||
| Coefficient C | -3.89140e+01 | |||
| Temperature range, min. | 259.34 | |||
| Temperature range, max. | 389.13 | |||
| Pvap | 1.33 | kPa | 259.34 | Calculated Property |
| Pvap | 3.07 | kPa | 273.76 | Calculated Property |
| Pvap | 6.40 | kPa | 288.18 | Calculated Property |
| Pvap | 12.33 | kPa | 302.60 | Calculated Property |
| Pvap | 22.19 | kPa | 317.02 | Calculated Property |
| Pvap | 37.68 | kPa | 331.45 | Calculated Property |
| Pvap | 60.89 | kPa | 345.87 | Calculated Property |
| Pvap | 94.24 | kPa | 360.29 | Calculated Property |
| Pvap | 140.49 | kPa | 374.71 | Calculated Property |
| Pvap | 202.67 | kPa | 389.13 | Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-dimethylfuran.
Sources
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