- InChI
- InChI=1S/C9H17NS2/c1-5-10(6-2)9(11)12-7-8(3)4/h3,5-7H2,1-2,4H3
- InChI Key
- NWZQNOBXSVYLDR-UHFFFAOYSA-N
- Formula
- C9H17NS2
- SMILES
- C=C(C)CSC(=S)N(CC)CC
- Molecular Weight1
- 203.37
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3844 | Relay (1.0) Calculated Property | |
| ΔfG° | 365.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.922 | Crippen Calculated Property | |
| McVol | 171.750 | ml/mol | McGowan Calculated Property |
| Pc | 2690.21 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1500.00] |
|
|
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Tboil | 519.81 | K | Relay (1.0) Calculated Property |
| Tc | 716.97 | K | Relay (1.0) Calculated Property |
| Tfus | 263.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.23; 458.16] | J/mol×K | [553.14; 766.25] |
|
| Cp,gas | 384.23 | J/mol×K | 553.14 | Joback Calculated Property |
| Cp,gas | 398.65 | J/mol×K | 588.66 | Joback Calculated Property |
| Cp,gas | 412.15 | J/mol×K | 624.18 | Joback Calculated Property |
| Cp,gas | 424.79 | J/mol×K | 659.69 | Joback Calculated Property |
| Cp,gas | 436.63 | J/mol×K | 695.21 | Joback Calculated Property |
| Cp,gas | 447.73 | J/mol×K | 730.73 | Joback Calculated Property |
| Cp,gas | 458.16 | J/mol×K | 766.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-(2-Methylallyl)-N,N-dimethyldithiocarbamate.
Sources
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