- InChI
- InChI=1S/C7H11N/c1-2-3-4-5-6-7-8/h2H,1,3-6H2
- InChI Key
- ZLWQKLRMIQIHKQ-UHFFFAOYSA-N
- Formula
- C7H11N
- SMILES
- C=CCCCCC#N
- Molecular Weight1
- 109.17
- Other Names
-
- (Replicate of what you have as 6-Cyano-1-hexene
- 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 | 0.4517 | Relay (1.0) Calculated Property | |
| ΔfG° | 229.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 87.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.256 | Crippen Calculated Property | |
| McVol | 106.570 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Tboil | 456.45 | K | Relay (1.0) Calculated Property |
| Tc | 653.08 | K | Relay (1.0) Calculated Property |
| Tfus | 200.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.397 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.55; 328.43] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.05340e+01 | |||
| Coefficient B | 5.83600e-01 | |||
| Coefficient C | -3.48900e-04 | |||
| Coefficient D | 8.32000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.07 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 271.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 288.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 303.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 316.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 328.43 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Heptene-1-nitrile.
Sources
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