- InChI
- InChI=1S/C8H14S/c1-3-5-6-8-9-7-4-2/h2H,3,5-8H2,1H3
- InChI Key
- OAENEVQWITZHNM-UHFFFAOYSA-N
- Formula
- C8H14S
- SMILES
- C#CCSCCCCC
- Molecular Weight1
- 142.26
- Other Names
-
- Pentyl propargyl sulfide
- 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 | 0.3230 | Relay (... Calculated Property | |
| ΔfG° | 272.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 118.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.80 | eV | Relay (... Calculated Property |
| log10WS | -3.15 | Relay (... Calculated Property | |
| logPoct/wat | 2.543 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [1073.00; 1073.00] |
|
|
| Inp | 1073.00 | NIST | |
| Inp | 1073.00 | NIST | |
| Tboil | 458.53 | K | Relay (... Calculated Property |
| Tc | 645.91 | K | Relay (... Calculated Property |
| Tfus | 212.89 | K | Relay (... Calculated Property |
| Vc | 0.460 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.10; 323.50] | J/mol×K | [441.34; 640.42] |
|
| Cp,gas | 257.10 | J/mol×K | 441.34 | Joback Calculated Property |
| Cp,gas | 269.55 | J/mol×K | 474.52 | Joback Calculated Property |
| Cp,gas | 281.42 | J/mol×K | 507.70 | Joback Calculated Property |
| Cp,gas | 292.74 | J/mol×K | 540.88 | Joback Calculated Property |
| Cp,gas | 303.51 | J/mol×K | 574.06 | Joback Calculated Property |
| Cp,gas | 313.76 | J/mol×K | 607.24 | Joback Calculated Property |
| Cp,gas | 323.50 | J/mol×K | 640.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-thia-1-nonyne.
Sources
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