- InChI
- InChI=1S/CH2S/c1-2/h1H2
- InChI Key
- DBTDEFJAFBUGPP-UHFFFAOYSA-N
- Formula
- CH2S
- SMILES
- C=S
- Molecular Weight1
- 46.09
- CAS
- 865-36-1
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| PAff | 759.70 | kJ/mol | NIST |
| BasG | 730.50 | kJ/mol | NIST |
| EA | 0.47 ± 0.02 | eV | NIST |
| ΔfG° | 90.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [90.00; 118.00] | kJ/mol |
|
| ΔfH°gas | 118.00 ± 8.40 | kJ/mol | NIST |
| ΔfH°gas | 90.00 ± 8.00 | kJ/mol | NIST |
| ΔfusH° | 2.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.84 | kJ/mol | Joback Calculated Property |
| IE | [9.00; 9.44] | eV |
|
| IE | 9.38 ± 0.00 | eV | NIST |
| IE | 9.34 ± 0.01 | eV | NIST |
| IE | 9.44 ± 0.05 | eV | NIST |
| IE | 9.38 | eV | NIST |
| IE | Outlier 9.00 | eV | NIST |
| IE | 9.33 | eV | NIST |
| log10WS | -0.60 | Crippen Calculated Property | |
| logPoct/wat | 0.616 | Crippen Calculated Property | |
| McVol | 37.000 | ml/mol | McGowan Calculated Property |
| Pc | 6535.23 | kPa | Joback Calculated Property |
| Tboil | 284.96 | K | Joback Calculated Property |
| Tc | 470.35 | K | Joback Calculated Property |
| Tfus | 152.58 | K | Joback Calculated Property |
| Vc | 0.128 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [39.88; 51.77] | J/mol×K | [284.96; 470.35] |
|
| Cp,gas | 39.88 | J/mol×K | 284.96 | Joback Calculated Property |
| Cp,gas | 42.33 | J/mol×K | 315.86 | Joback Calculated Property |
| Cp,gas | 44.58 | J/mol×K | 346.76 | Joback Calculated Property |
| Cp,gas | 46.63 | J/mol×K | 377.65 | Joback Calculated Property |
| Cp,gas | 48.51 | J/mol×K | 408.55 | Joback Calculated Property |
| Cp,gas | 50.22 | J/mol×K | 439.45 | Joback Calculated Property |
| Cp,gas | 51.77 | J/mol×K | 470.35 | Joback Calculated Property |
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Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.