- InChI
- InChI=1S/C8H10N2S/c1-6-4-2-3-5-7(6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
- InChI Key
- ACLZYRNSDLQOIA-UHFFFAOYSA-N
- Formula
- C8H10N2S
- SMILES
- Cc1ccccc1NC(N)=S
- Molecular Weight1
- 166.24
- CAS
- 614-78-8
- 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).
- IE : Ionization energy (eV).
- 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° | 392.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 250.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.15 | kJ/mol | Joback Calculated Property |
| IE | 8.20 | eV | NIST |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 1.651 | Crippen Calculated Property | |
| McVol | 131.830 | ml/mol | McGowan Calculated Property |
| Pc | 4397.41 | kPa | Joback Calculated Property |
| Tboil | 606.84 | K | Joback Calculated Property |
| Tc | 856.91 | K | Joback Calculated Property |
| Tfus | 389.05 | K | Joback Calculated Property |
| Vc | 0.475 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [299.68; 355.21] | J/mol×K | [606.84; 856.91] | 
|
| Cp,gas | 299.68 | J/mol×K | 606.84 | Joback Calculated Property |
| Cp,gas | 310.93 | J/mol×K | 648.52 | Joback Calculated Property |
| Cp,gas | 321.26 | J/mol×K | 690.20 | Joback Calculated Property |
| Cp,gas | 330.76 | J/mol×K | 731.88 | Joback Calculated Property |
| Cp,gas | 339.53 | J/mol×K | 773.56 | Joback Calculated Property |
| Cp,gas | 347.64 | J/mol×K | 815.23 | Joback Calculated Property |
| Cp,gas | 355.21 | J/mol×K | 856.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-tolylthiourea.
Sources
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