- InChI
- InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
- InChI Key
- XPUDGEZWSNPCMM-UHFFFAOYSA-N
- Formula
- C6H11NS
- SMILES
- CSCCCCC#N
- Molecular Weight1
- 129.22
- CAS
- 59121-25-4
- Other Names
-
- 4-(Methylthio)butyl cyanide
- 5-Methylthiopentanonitrile
- 5-Methylthiopentyl nitrile
- 5-(Methylthio)pentanenitrile
- 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.
- I : 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 | 0.4727 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 16.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.74 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.043 | Crippen Calculated Property | |
| McVol | 113.130 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | [1142.00; 1227.00] |
|
|
| Inp | 1211.00 | NIST | |
| Inp | 1202.30 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Inp | 1174.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1211.00 | NIST | |
| I | [1850.00; 1857.00] |
|
|
| I | 1850.00 | NIST | |
| I | 1851.00 | NIST | |
| I | 1857.00 | NIST | |
| Tboil | 522.20 | K | Relay (1.0) Calculated Property |
| Tc | 732.05 | K | Relay (1.0) Calculated Property |
| Tfus | 234.47 | 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 | [233.22; 285.66] | J/mol×K | [507.74; 718.11] |
|
| Cp,gas | 233.22 | J/mol×K | 507.74 | Joback Calculated Property |
| Cp,gas | 243.10 | J/mol×K | 542.80 | Joback Calculated Property |
| Cp,gas | 252.51 | J/mol×K | 577.86 | Joback Calculated Property |
| Cp,gas | 261.47 | J/mol×K | 612.93 | Joback Calculated Property |
| Cp,gas | 269.97 | J/mol×K | 647.99 | Joback Calculated Property |
| Cp,gas | 278.04 | J/mol×K | 683.05 | Joback Calculated Property |
| Cp,gas | 285.66 | J/mol×K | 718.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanenitrile, 5-(methylthio)-.
Sources
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