- InChI
- InChI=1S/C6H12N2/c1-3-6(2)8-5-4-7/h6,8H,3,5H2,1-2H3
- InChI Key
- OEHOCCGKJKWJAZ-UHFFFAOYSA-N
- Formula
- C6H12N2
- SMILES
- CCC(C)NCC#N
- Molecular Weight1
- 112.17
- CAS
- 56095-81-9
- 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 | 0.4519 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 33.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.898 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3093.29 | kPa | Joback Calculated Property |
| Tboil | 456.99 | K | Relay (1.0) Calculated Property |
| Tc | 635.78 | K | Relay (1.0) Calculated Property |
| Tfus | 225.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.39; 284.84] | J/mol×K | [488.49; 684.38] | 
|
| Cp,gas | 230.39 | J/mol×K | 488.49 | Joback Calculated Property |
| Cp,gas | 240.61 | J/mol×K | 521.14 | Joback Calculated Property |
| Cp,gas | 250.36 | J/mol×K | 553.79 | Joback Calculated Property |
| Cp,gas | 259.64 | J/mol×K | 586.44 | Joback Calculated Property |
| Cp,gas | 268.47 | J/mol×K | 619.09 | Joback Calculated Property |
| Cp,gas | 276.87 | J/mol×K | 651.74 | Joback Calculated Property |
| Cp,gas | 284.84 | J/mol×K | 684.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sec-butylaminoacetonitrile.
Sources
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