- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 230.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 30.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.09 | kJ/mol | Joback Calculated Property |
| log10WS | -1.81 | Crippen 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 | 511.81 | K | Joback Calculated Property |
| Tc | 701.21 | K | Joback Calculated Property |
| Tfus | 286.30 | K | Joback Calculated Property |
| Vc | 0.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.36; 331.13] | J/mol×K | [511.81; 701.21] | 
|
| Cp,gas | 272.36 | J/mol×K | 511.81 | Joback Calculated Property |
| Cp,gas | 283.35 | J/mol×K | 543.38 | Joback Calculated Property |
| Cp,gas | 293.85 | J/mol×K | 574.94 | Joback Calculated Property |
| Cp,gas | 303.86 | J/mol×K | 606.51 | Joback Calculated Property |
| Cp,gas | 313.40 | J/mol×K | 638.07 | Joback Calculated Property |
| Cp,gas | 322.48 | J/mol×K | 669.64 | Joback Calculated Property |
| Cp,gas | 331.13 | J/mol×K | 701.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Butylamino)propionitrile.
Sources
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