- InChI
- InChI=1S/C9H18S3/c1-4-7-10-9(6-3)12-11-8-5-2/h5,8-9H,4,6-7H2,1-3H3/b8-5+
- InChI Key
- ZJSMHYXMALNRQK-VMPITWQZSA-N
- Formula
- C9H18S3
- SMILES
- CC=CSSC(CC)SCCC
- Molecular Weight1
- 222.43
- Other Names
-
- 1-(Propylthio)propyl 1-propenyl disulfide
- 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° | 202.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.65 | kJ/mol | Joback Calculated Property |
| log10WS | -5.19 | Crippen Calculated Property | |
| logPoct/wat | 4.781 | Crippen Calculated Property | |
| McVol | 182.420 | ml/mol | McGowan Calculated Property |
| Pc | 2574.11 | kPa | Joback Calculated Property |
| Inp | [1603.00; 1603.00] |
|
|
| Inp | 1603.00 | NIST | |
| Inp | 1603.00 | NIST | |
| Tboil | 615.38 | K | Joback Calculated Property |
| Tc | 850.66 | K | Joback Calculated Property |
| Tfus | 274.31 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.06; 500.14] | J/mol×K | [615.38; 850.66] |
|
| Cp,gas | 422.06 | J/mol×K | 615.38 | Joback Calculated Property |
| Cp,gas | 437.42 | J/mol×K | 654.59 | Joback Calculated Property |
| Cp,gas | 451.81 | J/mol×K | 693.81 | Joback Calculated Property |
| Cp,gas | 465.26 | J/mol×K | 733.02 | Joback Calculated Property |
| Cp,gas | 477.78 | J/mol×K | 772.23 | Joback Calculated Property |
| Cp,gas | 489.40 | J/mol×K | 811.45 | Joback Calculated Property |
| Cp,gas | 500.14 | J/mol×K | 850.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(1-Propenyl)-2-(4-thiohept-5-yl)disulfide.
Sources
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