- InChI
- InChI=1S/C9H17N/c1-3-5-6-9(4-2)7-8-10/h9H,3-7H2,1-2H3
- InChI Key
- SNZMXYKDANOXRV-UHFFFAOYSA-N
- Formula
- C9H17N
- SMILES
- CCCCC(CC)CC#N
- Molecular Weight1
- 139.24
- CAS
- 2571-05-3
- 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 | 0.5046 | Relay (... Calculated Property | |
| ΔfG° | 155.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.34 | kJ/mol | Relay (... Calculated Property |
| IE | 10.36 | eV | Relay (... Calculated Property |
| log10WS | -3.70 | Relay (... Calculated Property | |
| logPoct/wat | 3.116 | Crippen Calculated Property | |
| McVol | 139.050 | ml/mol | McGowan Calculated Property |
| Pc | 2269.73 | kPa | Joback Calculated Property |
| Tboil | 481.02 | K | Relay (... Calculated Property |
| Tc | 670.94 | K | Relay (... Calculated Property |
| Tfus | 189.45 | K | Relay (... Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.40; 383.73] | J/mol×K | [506.96; 694.00] | 
|
| Cp,gas | 314.40 | J/mol×K | 506.96 | Joback Calculated Property |
| Cp,gas | 327.33 | J/mol×K | 538.13 | Joback Calculated Property |
| Cp,gas | 339.69 | J/mol×K | 569.31 | Joback Calculated Property |
| Cp,gas | 351.49 | J/mol×K | 600.48 | Joback Calculated Property |
| Cp,gas | 362.76 | J/mol×K | 631.65 | Joback Calculated Property |
| Cp,gas | 373.50 | J/mol×K | 662.83 | Joback Calculated Property |
| Cp,gas | 383.73 | J/mol×K | 694.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptanenitrile, 3-ethyl-.
Sources
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