- InChI
- InChI=1S/C9H11NS2/c1-11-9(12-2)10-8-6-4-3-5-7-8/h3-7H,1-2H3
- InChI Key
- LTPWYSQGZKSLIW-UHFFFAOYSA-N
- Formula
- C9H11NS2
- SMILES
- CSC(=Nc1ccccc1)SC
- Molecular Weight1
- 197.32
- CAS
- 18805-23-7
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation 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 |
|---|---|---|---|
| ω | 0.3839 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6462.20 | kJ/mol | NIST |
| ΔfG° | 256.99 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 190.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 143.00 | kJ/mol | NIST |
| ΔvapH° | 72.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 152.290 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 535.69 | K | Relay (1.0) Calculated Property |
| Tc | 758.50 | K | Relay (1.0) Calculated Property |
| Tfus | 327.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.502 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Pheny dithiocarbimidoic acid dimethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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