- InChI
- InChI=1S/C10H21NS2/c1-6-7-13-10(12)11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
- InChI Key
- LXQUMCXOBIGJCG-UHFFFAOYSA-N
- Formula
- C10H21NS2
- SMILES
- CCCSC(=S)N(C(C)C)C(C)C
- Molecular Weight1
- 219.41
- 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° | 289.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.533 | Crippen Calculated Property | |
| McVol | 190.140 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | 1617.00 | NIST | |
| Tboil | 578.58 | K | Joback Calculated Property |
| Tc | 789.02 | K | Joback Calculated Property |
| Tfus | 273.60 | K | Joback Calculated Property |
| Vc | 0.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.99; 536.85] | J/mol×K | [578.58; 789.02] | 
|
| Cp,gas | 452.99 | J/mol×K | 578.58 | Joback Calculated Property |
| Cp,gas | 469.23 | J/mol×K | 613.65 | Joback Calculated Property |
| Cp,gas | 484.49 | J/mol×K | 648.73 | Joback Calculated Property |
| Cp,gas | 498.82 | J/mol×K | 683.80 | Joback Calculated Property |
| Cp,gas | 512.29 | J/mol×K | 718.88 | Joback Calculated Property |
| Cp,gas | 524.94 | J/mol×K | 753.95 | Joback Calculated Property |
| Cp,gas | 536.85 | J/mol×K | 789.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to S-Propyl-N,N-diisopropyldithiocarbamate.
Sources
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