- InChI
- InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3
- InChI Key
- PWKKBTPSCGLYBR-UHFFFAOYSA-N
- Formula
- C9H15NO2
- SMILES
- CCCCCCOC(=O)CC#N
- Molecular Weight1
- 169.22
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -75.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.32 | Crippen Calculated Property | |
| logPoct/wat | 2.024 | Crippen Calculated Property | |
| McVol | 146.490 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1346.00; 1346.00] |
|
|
| Inp | 1346.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Tboil | 583.69 | K | Joback Calculated Property |
| Tc | 774.12 | K | Joback Calculated Property |
| Tfus | 328.34 | K | Joback Calculated Property |
| Vc | 0.590 | m3/kmol | Joback 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 Cyanoacetic acid, hexyl ester.
Sources
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