- 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
- 185.33
- CAS
- 58214-94-1
- 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° | 199.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -42.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.76 | Crippen 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 | 599.06 | K | Joback Calculated Property |
| Tc | 797.23 | K | Joback Calculated Property |
| Tfus | 301.85 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.13; 486.43] | J/mol×K | [599.06; 797.23] | 
|
| Cp,gas | 414.13 | J/mol×K | 599.06 | Joback Calculated Property |
| Cp,gas | 427.81 | J/mol×K | 632.09 | Joback Calculated Property |
| Cp,gas | 440.82 | J/mol×K | 665.12 | Joback Calculated Property |
| Cp,gas | 453.17 | J/mol×K | 698.15 | Joback Calculated Property |
| Cp,gas | 464.88 | J/mol×K | 731.18 | Joback Calculated Property |
| Cp,gas | 475.96 | J/mol×K | 764.20 | Joback Calculated Property |
| Cp,gas | 486.43 | J/mol×K | 797.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 9-(Methylthio)nonanonitrile.
Sources
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