- InChI
- InChI=1S/C12H9NS/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,8H2
- InChI Key
- PFMHSJMACRLMEX-UHFFFAOYSA-N
- Formula
- C12H9NS
- SMILES
- N#CCSc1ccc2ccccc2c1
- Molecular Weight1
- 199.27
- CAS
- 5324-69-6
- 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).
- 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° | 425.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 331.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.18 | kJ/mol | Joback Calculated Property |
| log10WS | -4.31 | Crippen Calculated Property | |
| logPoct/wat | 3.455 | Crippen Calculated Property | |
| McVol | 154.450 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 695.46 | K | Joback Calculated Property |
| Tc | 958.30 | K | Joback Calculated Property |
| Tfus | 396.03 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.69; 422.59] | J/mol×K | [695.46; 958.30] | 
|
| Cp,gas | 366.69 | J/mol×K | 695.46 | Joback Calculated Property |
| Cp,gas | 378.21 | J/mol×K | 739.27 | Joback Calculated Property |
| Cp,gas | 388.73 | J/mol×K | 783.07 | Joback Calculated Property |
| Cp,gas | 398.33 | J/mol×K | 826.88 | Joback Calculated Property |
| Cp,gas | 407.12 | J/mol×K | 870.69 | Joback Calculated Property |
| Cp,gas | 415.17 | J/mol×K | 914.49 | Joback Calculated Property |
| Cp,gas | 422.59 | J/mol×K | 958.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Naphthylthioacetonitrile.
Sources
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