- InChI
- InChI=1S/C8H14S/c1-5-7-9-8(3,4)6-2/h1H,6-7H2,2-4H3
- InChI Key
- KKLPZDFTGDNLOP-UHFFFAOYSA-N
- Formula
- C8H14S
- SMILES
- C#CCSC(C)(C)CC
- Molecular Weight1
- 142.26
- Other Names
-
- 1,1-Dimethylpropyl 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 | 0.2383 | Relay (1.0) Calculated Property | |
| ΔfG° | 275.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 96.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.541 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3079.57 | kPa | Joback Calculated Property |
| Inp | [1010.00; 1010.00] |
|
|
| Inp | 1010.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Tboil | 437.95 | K | Relay (1.0) Calculated Property |
| Tc | 632.99 | K | Relay (1.0) Calculated Property |
| Tfus | 224.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.59; 330.95] | J/mol×K | [438.11; 650.89] |
|
| Cp,gas | 259.59 | J/mol×K | 438.11 | Joback Calculated Property |
| Cp,gas | 273.43 | J/mol×K | 473.57 | Joback Calculated Property |
| Cp,gas | 286.44 | J/mol×K | 509.04 | Joback Calculated Property |
| Cp,gas | 298.66 | J/mol×K | 544.50 | Joback Calculated Property |
| Cp,gas | 310.12 | J/mol×K | 579.97 | Joback Calculated Property |
| Cp,gas | 320.88 | J/mol×K | 615.43 | Joback Calculated Property |
| Cp,gas | 330.95 | J/mol×K | 650.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,5-dimethyl-4-thia-1-heptyne.
Sources
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