- InChI
- InChI=1S/C8H15NS/c1-10-8-6-4-2-3-5-7-9/h2-6,8H2,1H3
- InChI Key
- MAMGGQVRQMBXMB-UHFFFAOYSA-N
- Formula
- C8H15NS
- SMILES
- CSCCCCCCC#N
- Molecular Weight1
- 157.28
- CAS
- 75272-78-5
- 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° | 182.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 2.823 | Crippen Calculated Property | |
| McVol | 141.310 | ml/mol | McGowan Calculated Property |
| Pc | 2515.07 | kPa | Joback Calculated Property |
| Inp | [1427.30; 1427.30] |
|
|
| Inp | 1427.30 | NIST | |
| Inp | 1427.30 | NIST | |
| Tboil | 553.30 | K | Joback Calculated Property |
| Tc | 757.26 | K | Joback Calculated Property |
| Tfus | 279.31 | K | Joback Calculated Property |
| Vc | 0.564 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.00; 383.67] | J/mol×K | [553.30; 757.26] |
|
| Cp,gas | 320.00 | J/mol×K | 553.30 | Joback Calculated Property |
| Cp,gas | 332.02 | J/mol×K | 587.29 | Joback Calculated Property |
| Cp,gas | 343.47 | J/mol×K | 621.29 | Joback Calculated Property |
| Cp,gas | 354.35 | J/mol×K | 655.28 | Joback Calculated Property |
| Cp,gas | 364.67 | J/mol×K | 689.27 | Joback Calculated Property |
| Cp,gas | 374.44 | J/mol×K | 723.26 | Joback Calculated Property |
| Cp,gas | 383.67 | J/mol×K | 757.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Methylthioheptanenitrile.
Sources
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