- InChI
- InChI=1S/C11H22N2/c1-2-3-4-5-6-7-10-13-11-8-9-12/h13H,2-8,10-11H2,1H3
- InChI Key
- AFXXFNVAHYRPIZ-UHFFFAOYSA-N
- Formula
- C11H22N2
- SMILES
- CCCCCCCCNCCC#N
- Molecular Weight1
- 182.31
- CAS
- 29504-89-0
- Other Names
-
- 3-(octylamino)propiononitrile
- 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° | 264.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.48 | Crippen Calculated Property | |
| logPoct/wat | 2.850 | Crippen Calculated Property | |
| McVol | 177.210 | ml/mol | McGowan Calculated Property |
| Pc | 1913.58 | kPa | Joback Calculated Property |
| Tboil | 603.33 | K | Joback Calculated Property |
| Tc | 784.81 | K | Joback Calculated Property |
| Tfus | 331.38 | K | Joback Calculated Property |
| Vc | 0.713 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.75; 535.58] | J/mol×K | [603.33; 784.81] | 
|
| Cp,gas | 459.75 | J/mol×K | 603.33 | Joback Calculated Property |
| Cp,gas | 473.95 | J/mol×K | 633.58 | Joback Calculated Property |
| Cp,gas | 487.50 | J/mol×K | 663.82 | Joback Calculated Property |
| Cp,gas | 500.41 | J/mol×K | 694.07 | Joback Calculated Property |
| Cp,gas | 512.72 | J/mol×K | 724.32 | Joback Calculated Property |
| Cp,gas | 524.43 | J/mol×K | 754.56 | Joback Calculated Property |
| Cp,gas | 535.58 | J/mol×K | 784.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-(octylamino)-.
Sources
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