- InChI
- InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3
- InChI Key
- KJRRQXYWFQKJIP-UHFFFAOYSA-N
- Formula
- C5H6O
- SMILES
- Cc1ccoc1
- Molecular Weight1
- 82.10
- CAS
- 930-27-8
- Other Names
-
- 3-Methylfuran
- 3-Methylfurane
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 854.00 | kJ/mol | NIST |
| BasG | 821.50 | kJ/mol | NIST |
| IE | [8.58; 8.70] | eV |
|
| IE | 8.64 | eV | NIST |
| IE | 8.58 | eV | NIST |
| IE | 8.70 | eV | NIST |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 1.588 | Crippen Calculated Property | |
| McVol | 67.720 | ml/mol | McGowan Calculated Property |
| Inp | [600.00; 646.00] |
|
|
| Inp | 602.20 | NIST | |
| Inp | Outlier 646.00 | NIST | |
| Inp | 611.10 | NIST | |
| Inp | 602.96 | NIST | |
| Inp | 603.00 | NIST | |
| Inp | 620.00 | NIST | |
| Inp | 614.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 602.00 | NIST | |
| Inp | 600.00 | NIST | |
| I | [832.00; 901.00] |
|
|
| I | 851.00 | NIST | |
| I | 851.00 | NIST | |
| I | 852.00 | NIST | |
| I | 853.00 | NIST | |
| I | 853.00 | NIST | |
| I | 854.00 | NIST | |
| I | 854.00 | NIST | |
| I | 858.00 | NIST | |
| I | 832.00 | NIST | |
| I | 832.00 | NIST | |
| I | Outlier 901.00 | NIST | |
| I | 877.00 | NIST | |
| I | 877.00 | NIST | |
| I | 851.00 | NIST | |
| I | 854.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [248.42; 353.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55175e+01 | |||
| Coefficient B | -3.24588e+03 | |||
| Coefficient C | -3.52950e+01 | |||
| Temperature range, min. | 248.42 | |||
| Temperature range, max. | 353.33 | |||
| Pvap | 1.33 | kPa | 248.42 | Calculated Property |
| Pvap | 2.94 | kPa | 260.08 | Calculated Property |
| Pvap | 5.99 | kPa | 271.73 | Calculated Property |
| Pvap | 11.41 | kPa | 283.39 | Calculated Property |
| Pvap | 20.52 | kPa | 295.05 | Calculated Property |
| Pvap | 35.10 | kPa | 306.70 | Calculated Property |
| Pvap | 57.43 | kPa | 318.36 | Calculated Property |
| Pvap | 90.39 | kPa | 330.02 | Calculated Property |
| Pvap | 137.44 | kPa | 341.67 | Calculated Property |
| Pvap | 202.65 | kPa | 353.33 | Calculated Property |
Similar Compounds
Find more compounds similar to Furan, 3-methyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.