- InChI
- InChI=1S/C6H7N/c1-2-3-4-5-6-7/h1H,3-5H2
- InChI Key
- JZYKFLLRVPPISG-UHFFFAOYSA-N
- Formula
- C6H7N
- SMILES
- C#CCCCC#N
- Molecular Weight1
- 93.13
- CAS
- 14918-21-9
- Other Names
-
- 5-Cyano-1-pentyne
- 5-cyanopent-1-yne
- 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).
- Tboilr : Boiling point at reduced pressure (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° | 355.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 289.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.29 | kJ/mol | Joback Calculated Property |
| log10WS | -2.00 | Crippen Calculated Property | |
| logPoct/wat | 1.313 | Crippen Calculated Property | |
| McVol | 88.180 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 428.88 | K | Joback Calculated Property |
| Tc | 631.83 | K | Joback Calculated Property |
| Tfus | 269.34 | K | Joback Calculated Property |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.56; 201.67] | J/mol×K | [428.88; 631.83] | 
|
| Cp,gas | 162.56 | J/mol×K | 428.88 | Joback Calculated Property |
| Cp,gas | 169.98 | J/mol×K | 462.70 | Joback Calculated Property |
| Cp,gas | 177.02 | J/mol×K | 496.53 | Joback Calculated Property |
| Cp,gas | 183.68 | J/mol×K | 530.35 | Joback Calculated Property |
| Cp,gas | 190.01 | J/mol×K | 564.18 | Joback Calculated Property |
| Cp,gas | 195.99 | J/mol×K | 598.00 | Joback Calculated Property |
| Cp,gas | 201.67 | J/mol×K | 631.83 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 389.00 ± 1.00 | K | 14.90 | NIST |
Similar Compounds
Find more compounds similar to 5-Hexynenitrile.
Sources
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