- 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° | -152.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | 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 | 2263.26 | kPa | Joback Calculated Property |
| Tboil | 531.19 | K | Relay (1.0) Calculated Property |
| Tc | 713.22 | K | Relay (1.0) Calculated Property |
| Tfus | 285.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.12; 468.24] | 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 | 3.71160e+01 | |||
| Coefficient B | 7.38820e-01 | |||
| Coefficient C | -3.40200e-04 | |||
| Coefficient D | 3.25000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 214.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 257.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 296.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 331.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 363.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 391.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 436.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 468.24 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 6-cyanohexanoate.
Sources
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