- InChI
- InChI=1S/C6H13NOS/c1-5(2)8-6(9)7(3)4/h5H,1-4H3
- InChI Key
- NOFGKMSNOXEHOX-UHFFFAOYSA-N
- Formula
- C6H13NOS
- SMILES
- CC(C)OC(=S)N(C)C
- Molecular Weight1
- 147.24
- CAS
- 24060-02-4
- Other Names
-
- Dimethyl-O-(1-methylethyl) ester of carbamothioic acid
- Carbamothioic acid, dimethyl-, O-(1-methylethyl) ester
- Carbamic acid, dimethylthio-, O-isopropyl ester
- O-Isopropyl N,N-dimethylthiocarbamate
- 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° | 120.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.74 | kJ/mol | Joback Calculated Property |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 1.258 | Crippen Calculated Property | |
| McVol | 123.300 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| Tboil | 441.14 | K | Joback Calculated Property |
| Tc | 636.91 | K | Joback Calculated Property |
| Tfus | 231.35 | K | Joback Calculated Property |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [244.70; 307.29] | J/mol×K | [441.14; 636.91] | 
|
| Cp,gas | 244.70 | J/mol×K | 441.14 | Joback Calculated Property |
| Cp,gas | 256.66 | J/mol×K | 473.77 | Joback Calculated Property |
| Cp,gas | 267.97 | J/mol×K | 506.40 | Joback Calculated Property |
| Cp,gas | 278.66 | J/mol×K | 539.03 | Joback Calculated Property |
| Cp,gas | 288.75 | J/mol×K | 571.66 | Joback Calculated Property |
| Cp,gas | 298.29 | J/mol×K | 604.29 | Joback Calculated Property |
| Cp,gas | 307.29 | J/mol×K | 636.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylcarbamothioic acid, O-isopropyl ester.
Sources
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