- InChI
- InChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3/b3-2+
- InChI Key
- RIZGKEIRSQLIBK-NSCUHMNNSA-N
- Formula
- C3H6S
- SMILES
- CC=CS
- Molecular Weight1
- 74.14
- CAS
- 925-89-3
- Other Names
-
- 1-Propenethiol
- 1-Propenylthiol
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 83.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 50.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.50 | Crippen Calculated Property | |
| logPoct/wat | 1.450 | Crippen Calculated Property | |
| McVol | 65.180 | ml/mol | McGowan Calculated Property |
| Pc | 5175.72 | kPa | Joback Calculated Property |
| Inp | [595.00; 603.40] |
|
|
| Inp | 600.00 | NIST | |
| Inp | 603.40 | NIST | |
| Inp | 595.00 | NIST | |
| Inp | 600.00 | NIST | |
| Tboil | 335.06 | K | Joback Calculated Property |
| Tc | 537.26 | K | Joback Calculated Property |
| Tfus | 154.95 | K | Joback Calculated Property |
| Vc | 0.237 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [88.83; 122.58] | J/mol×K | [335.06; 537.26] |
|
| Cp,gas | 88.83 | J/mol×K | 335.06 | Joback Calculated Property |
| Cp,gas | 95.31 | J/mol×K | 368.76 | Joback Calculated Property |
| Cp,gas | 101.42 | J/mol×K | 402.46 | Joback Calculated Property |
| Cp,gas | 107.18 | J/mol×K | 436.16 | Joback Calculated Property |
| Cp,gas | 112.62 | J/mol×K | 469.86 | Joback Calculated Property |
| Cp,gas | 117.75 | J/mol×K | 503.56 | Joback Calculated Property |
| Cp,gas | 122.58 | J/mol×K | 537.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene-1-thiol.
Sources
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