- InChI
- InChI=1S/C12H20N2O2S4/c17-11(13-1-5-15-6-2-13)19-9-10-20-12(18)14-3-7-16-8-4-14/h1-10H2
- InChI Key
- VTVUTLCOGCPFSX-UHFFFAOYSA-N
- Formula
- C12H20N2O2S4
- SMILES
- S=C(SCCSC(=S)N1CCOCC1)N1CCOCC1
- Molecular Weight1
- 352.56
- CAS
- 95844-90-9
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.6013 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.41 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -220.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 116.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.687 | Crippen Calculated Property | |
| McVol | 246.720 | ml/mol | McGowan Calculated Property |
| Pc | 1911.32 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 672.65 | K | Relay (1.0) Calculated Property |
| Tc | 966.04 | K | Relay (1.0) Calculated Property |
| Tfus | 372.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Morpholinecarbodithioic acid, ethylene diester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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