- InChI
- InChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8/h9H,2-4,6-7H2,1H3
- InChI Key
- FPGVMJDQNJEAJM-UHFFFAOYSA-N
- Formula
- C7H14N2
- SMILES
- CCCCNCCC#N
- Molecular Weight1
- 126.20
- CAS
- 693-51-6
- Other Names
-
- 3-Butylamino-propanenitrile
- 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 | 0.5517 | Relay (1.0) Calculated Property | |
| ΔfG° | 230.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 9.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.290 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Tboil | 497.03 | K | Relay (1.0) Calculated Property |
| Tc | 678.40 | K | Relay (1.0) Calculated Property |
| Tfus | 222.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.54; 393.83] | 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 | 1.23150e+01 | |||
| Coefficient B | 6.79820e-01 | |||
| Coefficient C | -3.74600e-04 | |||
| Coefficient D | 7.63000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 171.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 273.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.61 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 345.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 363.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 393.83 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Butylamino)propionitrile.
Sources
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