- InChI
- InChI=1S/C3H6S/c1-3(2)4/h1-2H3
- InChI Key
- JTNXQVCPQMQLHK-UHFFFAOYSA-N
- Formula
- C3H6S
- SMILES
- CC(C)=S
- Molecular Weight1
- 74.14
- CAS
- 4756-05-2
- 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 |
|---|---|---|---|
| ΔfG° | 91.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 41.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.00 | kJ/mol | Joback Calculated Property |
| IE | [8.60; 8.60] | eV |
|
| IE | 8.60 | eV | NIST |
| IE | 8.60 ± 0.05 | eV | NIST |
| log10WS | -1.43 | Crippen Calculated Property | |
| logPoct/wat | 1.396 | Crippen Calculated Property | |
| McVol | 65.180 | ml/mol | McGowan Calculated Property |
| Pc | 5001.51 | kPa | Joback Calculated Property |
| Tboil | 338.08 | K | Joback Calculated Property |
| Tc | 535.53 | K | Joback Calculated Property |
| Tfus | 157.84 | K | Joback Calculated Property |
| Vc | 0.239 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [91.49; 124.28] | J/mol×K | [338.08; 535.53] |
|
| Cp,gas | 91.49 | J/mol×K | 338.08 | Joback Calculated Property |
| Cp,gas | 97.97 | J/mol×K | 370.99 | Joback Calculated Property |
| Cp,gas | 104.01 | J/mol×K | 403.90 | Joback Calculated Property |
| Cp,gas | 109.63 | J/mol×K | 436.80 | Joback Calculated Property |
| Cp,gas | 114.86 | J/mol×K | 469.71 | Joback Calculated Property |
| Cp,gas | 119.74 | J/mol×K | 502.62 | Joback Calculated Property |
| Cp,gas | 124.28 | J/mol×K | 535.53 | Joback Calculated Property |
Similar Compounds
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Sources
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