- InChI
- InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
- InChI Key
- NVLPQIPTCCLBEU-UHFFFAOYSA-N
- Formula
- C4H8S
- SMILES
- C=CCSC
- Molecular Weight1
- 88.17
- CAS
- 10152-76-8
- Other Names
-
- 1-Propene, 3-(methylthio)-
- Allyl methyl sulfide
- Methyl allyl sulfide
- 3-(Methylthio)propene
- CH3SCH2CH=CH2
- 3-(Methylsulfanyl)-1-propene
- 3-(Methylthio)-1-propene
- Methyl 2-propenyl sulfide
- Methyl allyl sulphide
- allyl methyl sulphide
- 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.
- I : 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° | 103.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 41.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.65 | kJ/mol | Joback Calculated Property |
| IE | [8.60; 8.70] | eV |
|
| IE | 8.60 | eV | NIST |
| IE | 8.70 ± 0.20 | eV | NIST |
| IE | 8.65 | eV | NIST |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 1.535 | Crippen Calculated Property | |
| McVol | 79.270 | ml/mol | McGowan Calculated Property |
| Pc | 4200.18 | kPa | Joback Calculated Property |
| Inp | [678.00; 701.00] |
|
|
| Inp | 697.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | Outlier 678.00 | NIST | |
| Inp | Outlier 678.00 | NIST | |
| Inp | 684.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 698.00 | NIST | |
| Inp | 696.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 701.00 | NIST | |
| Inp | 697.00 | NIST | |
| Inp | 698.00 | NIST | |
| I | [932.00; 976.00] |
|
|
| I | 960.00 | NIST | |
| I | 976.00 | NIST | |
| I | 948.00 | NIST | |
| I | 943.00 | NIST | |
| I | 960.00 | NIST | |
| I | 960.00 | NIST | |
| I | Outlier 932.00 | NIST | |
| I | 956.00 | NIST | |
| I | 956.00 | NIST | |
| I | 956.00 | NIST | |
| I | 956.00 | NIST | |
| Tboil | [365.00; 365.20] | K |
|
| Tboil | 365.20 | K | NIST |
| Tboil | 365.00 | K | NIST |
| Tc | 551.75 | K | Joback Calculated Property |
| Tfus | 167.48 | K | Joback Calculated Property |
| Vc | 0.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [122.29; 164.17] | J/mol×K | [356.38; 551.75] |
|
| Cp,gas | 122.29 | J/mol×K | 356.38 | Joback Calculated Property |
| Cp,gas | 130.03 | J/mol×K | 388.94 | Joback Calculated Property |
| Cp,gas | 137.45 | J/mol×K | 421.50 | Joback Calculated Property |
| Cp,gas | 144.57 | J/mol×K | 454.07 | Joback Calculated Property |
| Cp,gas | 151.40 | J/mol×K | 486.63 | Joback Calculated Property |
| Cp,gas | 157.93 | J/mol×K | 519.19 | Joback Calculated Property |
| Cp,gas | 164.17 | J/mol×K | 551.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sulfide, allyl methyl.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.