- InChI
- InChI=1S/C8H16N2O2S2/c11-7(1-5-13)9-3-4-10-8(12)2-6-14/h13-14H,1-6H2,(H,9,11)(H,10,12)
- InChI Key
- BSICYDQQORWGMR-UHFFFAOYSA-N
- Formula
- C8H16N2O2S2
- SMILES
- O=C(CCS)NCCNC(=O)CCS
- Molecular Weight1
- 236.35
- CAS
- 818-41-7
- 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).
- 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 | 0.7829 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.141 | Crippen Calculated Property | |
| McVol | 179.380 | ml/mol | McGowan Calculated Property |
| Pc | 3435.91 | kPa | Joback Calculated Property |
| Tboil | 608.18 | K | Relay (1.0) Calculated Property |
| Tc | 897.88 | K | Relay (1.0) Calculated Property |
| Tfus | 354.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.26; 522.43] | J/mol×K | [716.24; 936.42] | 
|
| Cp,gas | 464.26 | J/mol×K | 716.24 | Joback Calculated Property |
| Cp,gas | 475.84 | J/mol×K | 752.94 | Joback Calculated Property |
| Cp,gas | 486.63 | J/mol×K | 789.63 | Joback Calculated Property |
| Cp,gas | 496.65 | J/mol×K | 826.33 | Joback Calculated Property |
| Cp,gas | 505.94 | J/mol×K | 863.03 | Joback Calculated Property |
| Cp,gas | 514.52 | J/mol×K | 899.73 | Joback Calculated Property |
| Cp,gas | 522.43 | J/mol×K | 936.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N,n'-ethylenebis(3-mercaptopropionamide).
Sources
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