- InChI
- InChI=1S/C3H5NS/c1-5-3-2-4/h3H2,1H3
- InChI Key
- ZRIGDBVSVFSVLL-UHFFFAOYSA-N
- Formula
- C3H5NS
- SMILES
- CSCC#N
- Molecular Weight1
- 87.14
- CAS
- 35120-10-6
- Other Names
-
- Acetonitrile, (methylthio)-
- CH3SCH2CN
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3482 | Relay (1.0) Calculated Property | |
| PAff | 784.80 | kJ/mol | NIST |
| BasG | 754.10 | kJ/mol | NIST |
| ΔfG° | 140.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 99.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.873 | Crippen Calculated Property | |
| McVol | 70.860 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 470.70 | K | Relay (1.0) Calculated Property |
| Tc | 655.99 | K | Relay (1.0) Calculated Property |
| Tfus | 218.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.256 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.51; 148.09] | J/mol×K | [438.90; 658.75] | 
|
| Cp,gas | 118.51 | J/mol×K | 438.90 | Joback Calculated Property |
| Cp,gas | 124.00 | J/mol×K | 475.54 | Joback Calculated Property |
| Cp,gas | 129.27 | J/mol×K | 512.18 | Joback Calculated Property |
| Cp,gas | 134.31 | J/mol×K | 548.82 | Joback Calculated Property |
| Cp,gas | 139.14 | J/mol×K | 585.47 | Joback Calculated Property |
| Cp,gas | 143.73 | J/mol×K | 622.11 | Joback Calculated Property |
| Cp,gas | 148.09 | J/mol×K | 658.75 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 335.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to (Methylthio)-acetonitrile.
Sources
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