- InChI
- InChI=1S/C4H4N2O2S/c5-1-3-9(7,8)4-2-6/h3-4H2
- InChI Key
- NNVQUTWFTPKDBS-UHFFFAOYSA-N
- Formula
- C4H4N2O2S
- SMILES
- N#CCS(=O)(=O)CC#N
- Molecular Weight1
- 144.15
- CAS
- 37463-94-8
- 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 | 0.5748 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.552 | Crippen Calculated Property | |
| McVol | 98.070 | ml/mol | McGowan Calculated Property |
| Pc | 4462.28 | kPa | Joback Calculated Property |
| Tboil | 613.48 | K | Relay (1.0) Calculated Property |
| Tc | 816.52 | K | Relay (1.0) Calculated Property |
| Tfus | 478.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.343 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.48; 227.88] | J/mol×K | [542.86; 750.03] | 
|
| Cp,gas | 196.48 | J/mol×K | 542.86 | Joback Calculated Property |
| Cp,gas | 202.54 | J/mol×K | 577.39 | Joback Calculated Property |
| Cp,gas | 208.29 | J/mol×K | 611.92 | Joback Calculated Property |
| Cp,gas | 213.71 | J/mol×K | 646.45 | Joback Calculated Property |
| Cp,gas | 218.78 | J/mol×K | 680.98 | Joback Calculated Property |
| Cp,gas | 223.51 | J/mol×K | 715.50 | Joback Calculated Property |
| Cp,gas | 227.88 | J/mol×K | 750.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to C4H4N2O2S.
Sources
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