- InChI
- InChI=1S/C8H16N2/c1-3-4-5-10-7-8(2)6-9/h8,10H,3-5,7H2,1-2H3
- InChI Key
- YEOFLJMHUKTFBH-UHFFFAOYSA-N
- Formula
- C8H16N2
- SMILES
- CCCCNCC(C)C#N
- Molecular Weight1
- 140.23
- CAS
- 63145-02-8
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.5234 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -5356.30 ± 3.40 | kJ/mol | NIST |
| ΔfG° | 236.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -11.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -78.50 ± 3.40 | kJ/mol | NIST |
| ΔfusH° | 19.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.536 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Tboil | 485.58 | K | Relay (1.0) Calculated Property |
| Tc | 646.37 | K | Relay (1.0) Calculated Property |
| Tfus | 239.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.494 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.85; 382.09] | J/mol×K | [534.25; 725.29] | 
|
| Cp,gas | 316.85 | J/mol×K | 534.25 | Joback Calculated Property |
| Cp,gas | 329.10 | J/mol×K | 566.09 | Joback Calculated Property |
| Cp,gas | 340.78 | J/mol×K | 597.93 | Joback Calculated Property |
| Cp,gas | 351.90 | J/mol×K | 629.77 | Joback Calculated Property |
| Cp,gas | 362.48 | J/mol×K | 661.61 | Joback Calculated Property |
| Cp,gas | 372.54 | J/mol×K | 693.45 | Joback Calculated Property |
| Cp,gas | 382.09 | J/mol×K | 725.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Butylaminoisobutyronitrile.
Sources
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