- InChI
- InChI=1S/C11H18O/c1-2-3-4-5-6-8-11-9-7-10-12-11/h7,9-10H,2-6,8H2,1H3
- InChI Key
- BHTUFJXTYNLISA-UHFFFAOYSA-N
- Formula
- C11H18O
- SMILES
- CCCCCCCc1ccco1
- Molecular Weight1
- 166.26
- CAS
- 3777-71-7
- Other Names
-
- 2-Heptylfuran
- Furan, 2-heptyl-
- 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 |
|---|---|---|---|
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 152.260 | ml/mol | McGowan Calculated Property |
| Inp | [1177.00; 1205.00] |
|
|
| Inp | 1181.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1188.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1177.00 | NIST | |
| Inp | 1186.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | Outlier 1205.00 | NIST | |
| Inp | 1184.00 | NIST | |
| I | [1416.00; 1454.00] |
|
|
| I | 1429.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| I | 1454.00 | NIST | |
| I | 1416.00 | NIST | |
| I | 1448.00 | NIST | |
| I | 1429.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [351.32; 509.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42324e+01 | |||
| Coefficient B | -3.91069e+03 | |||
| Coefficient C | -7.08790e+01 | |||
| Temperature range, min. | 351.32 | |||
| Temperature range, max. | 509.25 | |||
| Pvap | 1.33 | kPa | 351.32 | Calculated Property |
| Pvap | 3.03 | kPa | 368.87 | Calculated Property |
| Pvap | 6.29 | kPa | 386.42 | Calculated Property |
| Pvap | 12.08 | kPa | 403.96 | Calculated Property |
| Pvap | 21.74 | kPa | 421.51 | Calculated Property |
| Pvap | 36.99 | kPa | 439.06 | Calculated Property |
| Pvap | 59.97 | kPa | 456.61 | Calculated Property |
| Pvap | 93.23 | kPa | 474.15 | Calculated Property |
| Pvap | 139.69 | kPa | 491.70 | Calculated Property |
| Pvap | 202.64 | kPa | 509.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-n-Heptylfuran.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.