- InChI
- InChI=1S/C12H21NO2/c1-2-3-4-5-6-7-9-12(14)15-11-8-10-13/h2-9,11H2,1H3
- InChI Key
- MCQNPEQSCWSQAE-UHFFFAOYSA-N
- Formula
- C12H21NO2
- SMILES
- CCCCCCCCC(=O)OCCC#N
- Molecular Weight1
- 211.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -50.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 188.760 | ml/mol | McGowan Calculated Property |
| Pc | 1812.32 | kPa | Joback Calculated Property |
| Tboil | 652.33 | K | Joback Calculated Property |
| Tc | 837.17 | K | Joback Calculated Property |
| Tfus | 362.15 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback 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 Nonanoic acid, 2-cyanoethyl ester.
Sources
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