- InChI
- InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
- InChI Key
- YSHMQTRICHYLGF-UHFFFAOYSA-N
- Formula
- C9H13N
- SMILES
- CC(C)(C)c1ccncc1
- Molecular Weight1
- 135.21
- CAS
- 3978-81-2
- Other Names
-
- 4-(t-Butyl)pyridine
- 4-tert-Butylpyridine
- Pyridine, 4-tert-butyl-
- p-tert-Butyl pyridine
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 957.70 | kJ/mol | NIST |
| BasG | 925.80 | kJ/mol | NIST |
| ΔvapH° | 54.40 ± 1.30 | kJ/mol | NIST |
| IE | 9.30 ± 0.05 | eV | NIST |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 2.379 | Crippen Calculated Property | |
| McVol | 123.890 | ml/mol | McGowan Calculated Property |
| Inp | [1067.30; 1070.70] |
|
|
| Inp | 1067.30 | NIST | |
| Inp | 1067.30 | NIST | |
| Inp | 1070.00 | NIST | |
| Inp | 1070.70 | NIST | |
| Inp | 1067.30 | NIST | |
| Inp | 1070.70 | NIST | |
| Tboil | 469.70 | K | NIST |
| Tfus | 233.45 ± 0.50 | K | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [350.72; 508.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41806e+01 | |||
| Coefficient B | -3.87625e+03 | |||
| Coefficient C | -7.17130e+01 | |||
| Temperature range, min. | 350.72 | |||
| Temperature range, max. | 508.76 | |||
| Pvap | 1.33 | kPa | 350.72 | Calculated Property |
| Pvap | 3.03 | kPa | 368.28 | Calculated Property |
| Pvap | 6.30 | kPa | 385.84 | Calculated Property |
| Pvap | 12.11 | kPa | 403.40 | Calculated Property |
| Pvap | 21.80 | kPa | 420.96 | Calculated Property |
| Pvap | 37.08 | kPa | 438.52 | Calculated Property |
| Pvap | 60.09 | kPa | 456.08 | Calculated Property |
| Pvap | 93.36 | kPa | 473.64 | Calculated Property |
| Pvap | 139.79 | kPa | 491.20 | Calculated Property |
| Pvap | 202.64 | kPa | 508.76 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 4-(1,1-dimethylethyl)-.
Sources
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