- InChI
- InChI=1S/C3H4S/c1-2-3-4/h1,4H,3H2
- InChI Key
- BHLUERUPCAAQGF-UHFFFAOYSA-N
- Formula
- C3H4S
- SMILES
- C#CCS
- Molecular Weight1
- 72.13
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2361 | Relay (... Calculated Property | |
| ΔfG° | 226.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 250.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.64 | eV | Relay (... Calculated Property |
| log10WS | -0.64 | Relay (... Calculated Property | |
| logPoct/wat | 0.549 | Crippen Calculated Property | |
| McVol | 60.880 | ml/mol | McGowan Calculated Property |
| Pc | 5972.16 | kPa | Joback Calculated Property |
| Inp | [611.00; 611.00] |
|
|
| Inp | 611.00 | NIST | |
| Inp | 611.00 | NIST | |
| Tboil | 361.12 | K | Relay (... Calculated Property |
| Tc | 580.18 | K | Relay (... Calculated Property |
| Tfus | 179.32 | K | Relay (... Calculated Property |
| Vc | 0.215 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [85.51; 109.23] | J/mol×K | [321.02; 527.08] |
|
| Cp,gas | 85.51 | J/mol×K | 321.02 | Joback Calculated Property |
| Cp,gas | 90.05 | J/mol×K | 355.36 | Joback Calculated Property |
| Cp,gas | 94.34 | J/mol×K | 389.71 | Joback Calculated Property |
| Cp,gas | 98.39 | J/mol×K | 424.05 | Joback Calculated Property |
| Cp,gas | 102.21 | J/mol×K | 458.39 | Joback Calculated Property |
| Cp,gas | 105.82 | J/mol×K | 492.74 | Joback Calculated Property |
| Cp,gas | 109.23 | J/mol×K | 527.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-propyne-1-thiol.
Sources
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