- InChI
- InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3
- InChI Key
- JZJXKEWVUBVOEH-UHFFFAOYSA-N
- Formula
- C7H13N
- SMILES
- C#CCN(CC)CC
- Molecular Weight1
- 111.18
- CAS
- 4079-68-9
- Other Names
-
- 2-Propynylamine, N,N-diethyl-
- Diethylpropargylamine
- N,N-Diethyl-2-propynylamine
- N,N-Diethylpropargylamine
- 1-N,N-Diethylamino-2-propyne
- 3-(Diethylamino)propyne
- 3-(N,N-Diethylamino)propyne
- 1-Diethylaminopropyne-2
- 3-Diethylamino-1-propyne
- 1-Diethylamino-2-propyne
- NSC 63868
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2615 | Relay (1.0) Calculated Property | |
| ΔfG° | 341.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 163.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.961 | Crippen Calculated Property | |
| McVol | 110.870 | ml/mol | McGowan Calculated Property |
| Pc | 3287.81 | kPa | Joback Calculated Property |
| Inp | [757.00; 757.00] |
|
|
| Inp | 757.00 | NIST | |
| Inp | 757.00 | NIST | |
| Tboil | 396.06 | K | Relay (1.0) Calculated Property |
| Tc | 564.59 | K | Relay (1.0) Calculated Property |
| Tfus | 180.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.380 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.30; 360.81] | 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 | -3.87000e-01 | |||
| Coefficient B | 6.98840e-01 | |||
| Coefficient C | -4.65530e-04 | |||
| Coefficient D | 1.27890e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 277.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 299.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 317.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 333.67 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 347.98 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 360.81 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyn-1-amine, N,N-diethyl-.
Sources
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