- InChI
- InChI=1S/C8H7ClOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3
- InChI Key
- UNCAXIZUVRKBMN-UHFFFAOYSA-N
- Formula
- C8H7ClOS
- SMILES
- Cc1ccc(OC(=S)Cl)cc1
- Molecular Weight1
- 186.66
- CAS
- 937-63-3
- Other Names
-
- O-p-Tolyl chlorothioformate
- p-Tolyl chlorothionoformate
- O-4-Methylphenyl chlorothioformate
- Carbonochloridothioic acid, O-(4-methylphenyl) ester
- 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° | 119.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 15.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.86 | kJ/mol | Joback Calculated Property |
| log10WS | -3.57 | Crippen Calculated Property | |
| logPoct/wat | 2.898 | Crippen Calculated Property | |
| McVol | 129.980 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Tboil | 543.99 | K | Joback Calculated Property |
| Tc | 788.39 | K | Joback Calculated Property |
| Tfus | 305.28 | K | Joback Calculated Property |
| Vc | 0.478 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.28; 302.77] | J/mol×K | [543.99; 788.39] | 
|
| Cp,gas | 251.28 | J/mol×K | 543.99 | Joback Calculated Property |
| Cp,gas | 261.66 | J/mol×K | 584.72 | Joback Calculated Property |
| Cp,gas | 271.25 | J/mol×K | 625.46 | Joback Calculated Property |
| Cp,gas | 280.10 | J/mol×K | 666.19 | Joback Calculated Property |
| Cp,gas | 288.26 | J/mol×K | 706.92 | Joback Calculated Property |
| Cp,gas | 295.80 | J/mol×K | 747.66 | Joback Calculated Property |
| Cp,gas | 302.77 | J/mol×K | 788.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Tolyl chlorothionoformate.
Sources
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