- InChI
- InChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3
- InChI Key
- HQFYIDOMCULPIW-UHFFFAOYSA-N
- Formula
- C4H7N
- SMILES
- C#CCNC
- Molecular Weight1
- 69.11
- Other Names
-
- N-Methylpropargylamine
- 3-Methylamino-1-butyne
- N-(2-Propynyl)-N-methylamine
- N-methylpropyn-2-ylamine
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ω | 0.2409 | Relay (1.0) Calculated Property | |
| ΔfG° | 295.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 242.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.161 | Crippen Calculated Property | |
| McVol | 68.600 | ml/mol | McGowan Calculated Property |
| Pc | 4815.84 | kPa | Joback Calculated Property |
| Tboil | 356.20 | K | NIST |
| Tc | 524.55 | K | Relay (1.0) Calculated Property |
| Tfus | 232.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.245 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.34; 204.90] | 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 | 1.18210e+01 | |||
| Coefficient B | 3.66120e-01 | |||
| Coefficient C | -2.38330e-04 | |||
| Coefficient D | 6.52900e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 95.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 114.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 146.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 170.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 180.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 189.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 197.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 204.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-amine, N-methyl-.
Sources
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