- InChI
- InChI=1S/C7H12S/c1-4-6-8-7(3)5-2/h1,7H,5-6H2,2-3H3
- InChI Key
- GCNRFCHIMLFBMB-UHFFFAOYSA-N
- Formula
- C7H12S
- SMILES
- C#CCSC(C)CC
- Molecular Weight1
- 128.24
- Other Names
-
- 2-Butyl propargyl sulfide
- 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° | 261.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 140.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.46 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.151 | Crippen Calculated Property | |
| McVol | 117.240 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Inp | [933.00; 933.00] |
|
|
| Inp | 933.00 | NIST | |
| Inp | 933.00 | NIST | |
| Tboil | 418.02 | K | Joback Calculated Property |
| Tc | 624.16 | K | Joback Calculated Property |
| Tfus | 235.02 | K | Joback Calculated Property |
| Vc | 0.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.03; 279.35] | J/mol×K | [418.02; 624.16] |
|
| Cp,gas | 218.03 | J/mol×K | 418.02 | Joback Calculated Property |
| Cp,gas | 229.56 | J/mol×K | 452.38 | Joback Calculated Property |
| Cp,gas | 240.55 | J/mol×K | 486.73 | Joback Calculated Property |
| Cp,gas | 251.01 | J/mol×K | 521.09 | Joback Calculated Property |
| Cp,gas | 260.95 | J/mol×K | 555.45 | Joback Calculated Property |
| Cp,gas | 270.39 | J/mol×K | 589.80 | Joback Calculated Property |
| Cp,gas | 279.35 | J/mol×K | 624.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-4-thia-1-heptyne.
Sources
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