- InChI
- InChI=1S/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H
- InChI Key
- XZSIGWOVDPSPMG-UHFFFAOYSA-N
- Formula
- C13H8N2S
- SMILES
- N#Cc1ccc2c(c1)Nc1ccccc1S2
- Molecular Weight1
- 224.28
- 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° | 595.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 474.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 163.360 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | 2552.00 | NIST | |
| Tboil | 770.74 | K | Joback Calculated Property |
| Tc | 1051.16 | K | Joback Calculated Property |
| Tfus | 605.84 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [402.55; 458.18] | J/mol×K | [770.74; 1051.16] | 
|
| Cp,gas | 402.55 | J/mol×K | 770.74 | Joback Calculated Property |
| Cp,gas | 413.37 | J/mol×K | 817.48 | Joback Calculated Property |
| Cp,gas | 423.38 | J/mol×K | 864.21 | Joback Calculated Property |
| Cp,gas | 432.71 | J/mol×K | 910.95 | Joback Calculated Property |
| Cp,gas | 441.52 | J/mol×K | 957.69 | Joback Calculated Property |
| Cp,gas | 449.96 | J/mol×K | 1004.42 | Joback Calculated Property |
| Cp,gas | 458.18 | J/mol×K | 1051.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Periciazine M (ring).
Sources
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