- InChI
- InChI=1S/C8H16N2/c1-3-6-10(7-4-2)8-5-9/h3-4,6-8H2,1-2H3
- InChI Key
- ZFQYTSCUGODUDB-UHFFFAOYSA-N
- Formula
- C8H16N2
- SMILES
- CCCN(CC#N)CCC
- Molecular Weight1
- 140.23
- CAS
- 18071-35-7
- Other Names
-
- 2-(Dipropylamino)acetonitrile
- Acetonitrile, (dipropylamino)-
- dipropylaminoacetonitrile
- 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 | 0.5015 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.632 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Tboil | 476.40 | K | Relay (1.0) Calculated Property |
| Tc | 657.29 | K | Relay (1.0) Calculated Property |
| Tfus | 214.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.08; 446.57] | 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 | 1.92500e+00 | |||
| Coefficient B | 8.22540e-01 | |||
| Coefficient C | -4.93000e-04 | |||
| Coefficient D | 1.15100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 236.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 310.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 341.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 392.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 412.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 430.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 446.57 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to di-n-Propylaminoacetonitrile.
Sources
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