- InChI
- InChI=1S/C6H13NS2/c1-4-5-9-6(8)7(2)3/h4-5H2,1-3H3
- InChI Key
- DAFYGLFCAJUUGS-UHFFFAOYSA-N
- Formula
- C6H13NS2
- SMILES
- CCCSC(=S)N(C)C
- Molecular Weight1
- 163.30
- 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).
- Inp : Non-polar retention indices.
- 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° | 260.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.54 | kJ/mol | Joback Calculated Property |
| log10WS | -2.13 | Crippen Calculated Property | |
| logPoct/wat | 1.976 | Crippen Calculated Property | |
| McVol | 133.780 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Inp | [1492.00; 1492.00] |
|
|
| Inp | 1492.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Tboil | 487.94 | K | Joback Calculated Property |
| Tc | 702.77 | K | Joback Calculated Property |
| Tfus | 258.52 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.77; 332.29] | J/mol×K | [487.94; 702.77] |
|
| Cp,gas | 269.77 | J/mol×K | 487.94 | Joback Calculated Property |
| Cp,gas | 282.01 | J/mol×K | 523.75 | Joback Calculated Property |
| Cp,gas | 293.46 | J/mol×K | 559.55 | Joback Calculated Property |
| Cp,gas | 304.16 | J/mol×K | 595.36 | Joback Calculated Property |
| Cp,gas | 314.17 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 323.53 | J/mol×K | 666.97 | Joback Calculated Property |
| Cp,gas | 332.29 | J/mol×K | 702.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbamodithioic acid, dimethyl, propyl ester.
Sources
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