- InChI
- InChI=1S/C9H18N2/c1-3-7-11(8-4-2)9-5-6-10/h3-5,7-9H2,1-2H3
- InChI Key
- TXKWRPYUNDNNMI-UHFFFAOYSA-N
- Formula
- C9H18N2
- SMILES
- CCCN(CCC)CCC#N
- Molecular Weight1
- 154.25
- CAS
- 20732-22-3
- Other Names
-
- 3-(Dipropylamino)propionitrile
- 3-di-n-Propylaminopropionitrile
- Propanenitrile, 3-(dipropylamino)-
- 3-(dipropylamino)propiononitrile
- 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 | 0.5554 | Relay (1.0) Calculated Property | |
| ΔfG° | 268.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.022 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2248.26 | kPa | Joback Calculated Property |
| Tboil | 499.54 | K | Relay (1.0) Calculated Property |
| Tc | 680.05 | K | Relay (1.0) Calculated Property |
| Tfus | 215.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.29; 498.16] | 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 | 1.01600e+00 | |||
| Coefficient B | 9.17540e-01 | |||
| Coefficient C | -5.47400e-04 | |||
| Coefficient D | 1.27000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.29 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 345.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 380.36 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 410.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 437.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 460.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 480.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 498.16 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Dipropylaminopropanenitrile.
Sources
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