- InChI
- InChI=1S/C7H15NS2/c1-5(2)8(6(3)4)7(9)10/h5-6H,1-4H3,(H,9,10)
- InChI Key
- GWXMDJKGVWQLBZ-UHFFFAOYSA-N
- Formula
- C7H15NS2
- SMILES
- CC(C)N(C(=S)S)C(C)C
- Molecular Weight1
- 177.33
- CAS
- 25022-55-3
- ω : Acentric Factor.
- 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).
- 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 | 0.3867 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.90 ± 1.70 | kJ/mol | NIST |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.320 | Crippen Calculated Property | |
| McVol | 147.870 | ml/mol | McGowan Calculated Property |
| Pc | 3380.21 | kPa | Joback Calculated Property |
| Tboil | 494.81 | K | Relay (1.0) Calculated Property |
| Tc | 697.90 | K | Relay (1.0) Calculated Property |
| Tfus | 366.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.482 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.11; 381.90] | J/mol×K | [504.02; 725.71] | 
|
| Cp,gas | 311.11 | J/mol×K | 504.02 | Joback Calculated Property |
| Cp,gas | 325.09 | J/mol×K | 540.97 | Joback Calculated Property |
| Cp,gas | 338.11 | J/mol×K | 577.92 | Joback Calculated Property |
| Cp,gas | 350.23 | J/mol×K | 614.87 | Joback Calculated Property |
| Cp,gas | 361.52 | J/mol×K | 651.82 | Joback Calculated Property |
| Cp,gas | 372.06 | J/mol×K | 688.76 | Joback Calculated Property |
| Cp,gas | 381.90 | J/mol×K | 725.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diisopropyldithiocarbamic acid.
Sources
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