- InChI
- InChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3
- InChI Key
- VUGCBIWQHSRQBZ-UHFFFAOYSA-N
- Formula
- C5H9N
- SMILES
- C#CC(C)(C)N
- Molecular Weight1
- 83.13
- CAS
- 2978-58-7
- Other Names
-
- 3-Amino-3-methyl-1-butyne
- 1,1-Dimethylpropargylamine
- 1,1-dimethylprop-3-ynylamine
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- 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).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 167.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.357 | Crippen Calculated Property | |
| McVol | 82.690 | ml/mol | McGowan Calculated Property |
| Pc | 4602.62 | kPa | Joback Calculated Property |
| Tboil | 352.70 | K | NIST |
| Tc | 530.12 | K | Relay (1.0) Calculated Property |
| Tfus | 279.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.292 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [119.28; 257.04] | 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 | -5.86000e+00 | |||
| Coefficient B | 5.72640e-01 | |||
| Coefficient C | -4.59330e-04 | |||
| Coefficient D | 1.49590e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 119.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 145.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 168.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 187.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 203.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 217.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 229.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 239.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 248.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 257.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butyn-2-amine, 2-methyl-.
Sources
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