- InChI
- InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4-
- InChI Key
- IOVUOUZQSDBAQN-XQRVVYSFSA-N
- Formula
- C7H14S2
- SMILES
- CC=CSSC(C)CC
- Molecular Weight1
- 162.32
- CAS
- 24351-70-0
- 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° | 152.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.38 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.700 | Crippen Calculated Property | |
| McVol | 137.890 | ml/mol | McGowan Calculated Property |
| Pc | 3100.18 | kPa | Joback Calculated Property |
| Inp | [1176.80; 1177.00] |
|
|
| Inp | 1176.80 | NIST | |
| Inp | 1177.00 | NIST | |
| Tboil | 500.84 | K | Joback Calculated Property |
| Tc | 725.26 | K | Joback Calculated Property |
| Tfus | 217.37 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.01; 348.69] | J/mol×K | [500.84; 725.26] |
|
| Cp,gas | 279.01 | J/mol×K | 500.84 | Joback Calculated Property |
| Cp,gas | 292.38 | J/mol×K | 538.24 | Joback Calculated Property |
| Cp,gas | 305.02 | J/mol×K | 575.65 | Joback Calculated Property |
| Cp,gas | 316.95 | J/mol×K | 613.05 | Joback Calculated Property |
| Cp,gas | 328.19 | J/mol×K | 650.45 | Joback Calculated Property |
| Cp,gas | 338.77 | J/mol×K | 687.85 | Joback Calculated Property |
| Cp,gas | 348.69 | J/mol×K | 725.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-1-propenyl sec-butyl disulfide.
Sources
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