- InChI
- InChI=1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
- InChI Key
- PHWISQNXPLXQRU-UHFFFAOYSA-N
- Formula
- C3H6ClNS
- SMILES
- CN(C)C(=S)Cl
- Molecular Weight1
- 123.60
- CAS
- 16420-13-6
- Other Names
-
- Carbamoyl chloride, dimethylthio-
- Dimethylthiocarbamoyl chloride
- Dimethylthiocarbamyl chloride
- N,N-Dimethylthiocarbamoyl chloride
- N,N-Dimethylthiocarbamyl chloride
- 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° | 190.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.43 | kJ/mol | Joback Calculated Property |
| log10WS | -1.15 | Crippen Calculated Property | |
| logPoct/wat | 1.072 | Crippen Calculated Property | |
| McVol | 87.400 | ml/mol | McGowan Calculated Property |
| Pc | 4736.62 | kPa | Joback Calculated Property |
| Tboil | 387.95 | K | Joback Calculated Property |
| Tc | 593.05 | K | Joback Calculated Property |
| Tfus | [309.00; 317.00] | K |
|
| Tfus | 317.00 ± 4.00 | K | NIST |
| Tfus | 316.20 ± 2.00 | K | NIST |
| Tfus | 316.00 ± 3.00 | K | NIST |
| Tfus | 313.00 ± 5.00 | K | NIST |
| Tfus | 316.00 ± 3.00 | K | NIST |
| Tfus | 311.00 ± 3.00 | K | NIST |
| Tfus | 315.00 ± 4.00 | K | NIST |
| Tfus | 315.00 ± 3.00 | K | NIST |
| Tfus | Outlier 309.00 ± 3.00 | K | NIST |
| Tfus | 314.00 ± 4.00 | K | NIST |
| Tfus | 314.00 ± 4.00 | K | NIST |
| Tfus | 316.20 ± 2.00 | K | NIST |
| Tfus | 315.00 ± 4.00 | K | NIST |
| Vc | 0.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.74; 174.11] | J/mol×K | [387.95; 593.05] |
|
| Cp,gas | 136.74 | J/mol×K | 387.95 | Joback Calculated Property |
| Cp,gas | 144.34 | J/mol×K | 422.13 | Joback Calculated Property |
| Cp,gas | 151.33 | J/mol×K | 456.32 | Joback Calculated Property |
| Cp,gas | 157.77 | J/mol×K | 490.50 | Joback Calculated Property |
| Cp,gas | 163.68 | J/mol×K | 524.69 | Joback Calculated Property |
| Cp,gas | 169.11 | J/mol×K | 558.87 | Joback Calculated Property |
| Cp,gas | 174.11 | J/mol×K | 593.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamothioic chloride, dimethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.