- InChI
- InChI=1S/C8H17NOS2/c1-3-6-10-8(11)9-5-4-7-12-2/h3-7H2,1-2H3,(H,9,11)
- InChI Key
- YAJCCTPNVXDAOW-UHFFFAOYSA-N
- Formula
- C8H17NOS2
- SMILES
- CCCOC(=S)NCCCSC
- Molecular Weight1
- 207.36
- 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 | 0.5604 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.041 | Crippen Calculated Property | |
| McVol | 167.830 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | [1730.00; 1730.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| I | 2770.00 | NIST | |
| Tboil | 557.50 | K | Relay (1.0) Calculated Property |
| Tc | 760.26 | K | Relay (1.0) Calculated Property |
| Tfus | 281.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.07; 463.43] | J/mol×K | [593.85; 803.02] |
|
| Cp,gas | 395.07 | J/mol×K | 593.85 | Joback Calculated Property |
| Cp,gas | 408.16 | J/mol×K | 628.71 | Joback Calculated Property |
| Cp,gas | 420.54 | J/mol×K | 663.57 | Joback Calculated Property |
| Cp,gas | 432.22 | J/mol×K | 698.43 | Joback Calculated Property |
| Cp,gas | 443.25 | J/mol×K | 733.30 | Joback Calculated Property |
| Cp,gas | 453.64 | J/mol×K | 768.16 | Joback Calculated Property |
| Cp,gas | 463.43 | J/mol×K | 803.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-3-(Methylthio)propyl O-propyl thiocarbamate.
Sources
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