- InChI
- InChI=1S/C9H9N3/c1-8(6-11)5-9(7-12)3-2-4-10/h9H,1-3,5H2
- InChI Key
- RCOYANLEFOLXNT-UHFFFAOYSA-N
- Formula
- C9H9N3
- SMILES
- C=C(C#N)CC(C#N)CCC#N
- Molecular Weight1
- 159.19
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5615 | Relay (... Calculated Property | |
| ΔfG° | 501.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 397.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.59 | kJ/mol | Relay (... Calculated Property |
| IE | 10.50 | eV | Relay (... Calculated Property |
| log10WS | -2.29 | Relay (... Calculated Property | |
| logPoct/wat | 1.900 | Crippen Calculated Property | |
| McVol | 137.510 | ml/mol | McGowan Calculated Property |
| Pc | 2263.26 | kPa | Joback Calculated Property |
| Inp | 1520.00 | NIST | |
| Tboil | 497.41 | K | Relay (... Calculated Property |
| Tc | 750.52 | K | Relay (... Calculated Property |
| Tfus | 304.43 | K | Relay (... Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.62; 375.00] | J/mol×K | [707.68; 930.73] | 
|
| Cp,gas | 333.62 | J/mol×K | 707.68 | Joback Calculated Property |
| Cp,gas | 341.71 | J/mol×K | 744.85 | Joback Calculated Property |
| Cp,gas | 349.29 | J/mol×K | 782.03 | Joback Calculated Property |
| Cp,gas | 356.38 | J/mol×K | 819.20 | Joback Calculated Property |
| Cp,gas | 363.00 | J/mol×K | 856.38 | Joback Calculated Property |
| Cp,gas | 369.20 | J/mol×K | 893.55 | Joback Calculated Property |
| Cp,gas | 375.00 | J/mol×K | 930.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-tris-Cyano-1-hexene.
Sources
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