- InChI
- InChI=1S/C12H21NO2/c1-2-3-4-5-6-7-8-11-15-12(14)9-10-13/h2-9,11H2,1H3
- InChI Key
- OTQOFAYPKSGELN-UHFFFAOYSA-N
- Formula
- C12H21NO2
- SMILES
- CCCCCCCCCOC(=O)CC#N
- Molecular Weight1
- 211.30
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7610 | Relay (1.0) Calculated Property | |
| ΔfG° | -50.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 188.760 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Inp | [1646.00; 1646.00] |
|
|
| Inp | 1646.00 | NIST | |
| Inp | 1646.00 | NIST | |
| Tboil | 570.52 | K | Relay (1.0) Calculated Property |
| Tc | 749.91 | K | Relay (1.0) Calculated Property |
| Tfus | 321.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.75; 576.33] | J/mol×K | [652.33; 837.17] |
|
| Cp,gas | 503.75 | J/mol×K | 652.33 | Joback Calculated Property |
| Cp,gas | 517.43 | J/mol×K | 683.14 | Joback Calculated Property |
| Cp,gas | 530.47 | J/mol×K | 713.94 | Joback Calculated Property |
| Cp,gas | 542.86 | J/mol×K | 744.75 | Joback Calculated Property |
| Cp,gas | 554.63 | J/mol×K | 775.56 | Joback Calculated Property |
| Cp,gas | 565.78 | J/mol×K | 806.36 | Joback Calculated Property |
| Cp,gas | 576.33 | J/mol×K | 837.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyanoacetic acid, nonyl ester.
Sources
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