- InChI
- InChI=1S/C8H15NO/c1-8(2,10)6-5-7-9(3)4/h10H,7H2,1-4H3
- InChI Key
- VBARYRPUABJYGW-UHFFFAOYSA-N
- Formula
- C8H15NO
- SMILES
- CN(C)CC#CC(C)(C)O
- Molecular Weight1
- 141.21
- CAS
- 25400-83-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 19.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.322 | Crippen Calculated Property | |
| McVol | 130.830 | ml/mol | McGowan Calculated Property |
| Tboil | 447.06 | K | Relay (1.0) Calculated Property |
| Tfus | 279.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.84; 429.10] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.66990e+01 | |||
| Coefficient B | 8.97780e-01 | |||
| Coefficient C | -6.34060e-04 | |||
| Coefficient D | 1.82080e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 229.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 302.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 331.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 356.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 378.73 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 397.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 414.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 429.10 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Dimethylamino-2-methyl-3-pentyn-2-ol.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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