- InChI
- InChI=1S/C9H17N/c1-4-7-8-9-10(5-2)6-3/h4-6,9H2,1-3H3
- InChI Key
- GLYRYDQBPLDITK-UHFFFAOYSA-N
- Formula
- C9H17N
- SMILES
- CCC#CCN(CC)CC
- Molecular Weight1
- 139.24
- Other Names
-
- 1-Diethylamino-2-pentyne
- 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 | 0.2970 | Relay (1.0) Calculated Property | |
| ΔfG° | 338.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 121.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.742 | Crippen Calculated Property | |
| McVol | 139.050 | ml/mol | McGowan Calculated Property |
| Pc | 2701.41 | kPa | Joback Calculated Property |
| Tboil | 423.66 | K | Relay (1.0) Calculated Property |
| Tc | 615.92 | K | Relay (1.0) Calculated Property |
| Tfus | 190.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.02; 460.55] | 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 | 1.57400e+00 | |||
| Coefficient B | 8.32960e-01 | |||
| Coefficient C | -4.86260e-04 | |||
| Coefficient D | 1.12280e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 195.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 240.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 280.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 317.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 349.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 424.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 443.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 460.55 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-PENTYN-1-AMINE, N,N-DIETHYL-.
Sources
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