- InChI
- InChI=1S/C7H15NOS2/c1-3-9-7(10)8-5-4-6-11-2/h3-6H2,1-2H3,(H,8,10)
- InChI Key
- ILEAFLQTFMPPOU-UHFFFAOYSA-N
- Formula
- C7H15NOS2
- SMILES
- CCOC(=S)NCCCSC
- Molecular Weight1
- 193.33
- CAS
- 89855-25-4
- 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.
- I : 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 | 0.5111 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.650 | Crippen Calculated Property | |
| McVol | 153.740 | ml/mol | McGowan Calculated Property |
| Pc | 3138.51 | kPa | Joback Calculated Property |
| Inp | 1620.00 | NIST | |
| I | 2696.00 | NIST | |
| Tboil | 550.07 | K | Relay (1.0) Calculated Property |
| Tc | 754.97 | K | Relay (1.0) Calculated Property |
| Tfus | 286.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.25; 412.19] | J/mol×K | [570.97; 783.59] | 
|
| Cp,gas | 348.25 | J/mol×K | 570.97 | Joback Calculated Property |
| Cp,gas | 360.52 | J/mol×K | 606.41 | Joback Calculated Property |
| Cp,gas | 372.11 | J/mol×K | 641.84 | Joback Calculated Property |
| Cp,gas | 383.04 | J/mol×K | 677.28 | Joback Calculated Property |
| Cp,gas | 393.34 | J/mol×K | 712.72 | Joback Calculated Property |
| Cp,gas | 403.05 | J/mol×K | 748.16 | Joback Calculated Property |
| Cp,gas | 412.19 | J/mol×K | 783.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-3-(Methylthio)propyl O-ethyl thiocarbamate.
Sources
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