- InChI
- InChI=1S/C10H19NS/c1-12-10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3
- InChI Key
- KQKRRHTVZQEXBX-UHFFFAOYSA-N
- Formula
- C10H19NS
- SMILES
- CSCCCCCCCCC#N
- Molecular Weight1
- 185.34
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6218 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -75.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.604 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2092.66 | kPa | Joback Calculated Property |
| Inp | 1637.50 | NIST | |
| Tboil | 571.39 | K | Relay (1.0) Calculated Property |
| Tc | 777.00 | K | Relay (1.0) Calculated Property |
| Tfus | 280.72 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.21; 486.51] | J/mol×K | [599.26; 797.50] | 
|
| Cp,gas | 414.21 | J/mol×K | 599.26 | Joback Calculated Property |
| Cp,gas | 427.90 | J/mol×K | 632.30 | Joback Calculated Property |
| Cp,gas | 440.90 | J/mol×K | 665.34 | Joback Calculated Property |
| Cp,gas | 453.25 | J/mol×K | 698.38 | Joback Calculated Property |
| Cp,gas | 464.96 | J/mol×K | 731.42 | Joback Calculated Property |
| Cp,gas | 476.04 | J/mol×K | 764.46 | Joback Calculated Property |
| Cp,gas | 486.51 | J/mol×K | 797.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-(Methylthio)nonanonitrile.
Sources
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