- InChI
- InChI=1S/C9H15NO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-7H2,1H3
- InChI Key
- WPGIMPZMPWRYAI-UHFFFAOYSA-N
- Formula
- C9H15NO2
- SMILES
- CCOC(=O)CCCCCC#N
- Molecular Weight1
- 169.22
- CAS
- 10137-65-2
- 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 | 0.6418 | Relay (1.0) Calculated Property | |
| ΔfG° | -75.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.024 | Crippen Calculated Property | |
| McVol | 146.490 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Tboil | 531.19 | K | Relay (1.0) Calculated Property |
| Tc | 706.47 | K | Relay (1.0) Calculated Property |
| Tfus | 290.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.74; 417.44] | J/mol×K | [583.69; 774.12] | 
|
| Cp,gas | 355.74 | J/mol×K | 583.69 | Joback Calculated Property |
| Cp,gas | 367.30 | J/mol×K | 615.43 | Joback Calculated Property |
| Cp,gas | 378.35 | J/mol×K | 647.17 | Joback Calculated Property |
| Cp,gas | 388.88 | J/mol×K | 678.90 | Joback Calculated Property |
| Cp,gas | 398.90 | J/mol×K | 710.64 | Joback Calculated Property |
| Cp,gas | 408.42 | J/mol×K | 742.38 | Joback Calculated Property |
| Cp,gas | 417.44 | J/mol×K | 774.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 6-cyanohexanoate.
Sources
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