- InChI
- InChI=1S/C11H24S2/c1-5-7-8-9-11(13-4)10(6-2)12-3/h10-11H,5-9H2,1-4H3/t10-,11+/m1/s1
- InChI Key
- QQOHQJDISUURNU-MNOVXSKESA-N
- Formula
- C11H24S2
- SMILES
- CCCCCC(SC)C(CC)SC
- Molecular Weight1
- 220.44
- 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 | 0.4601 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.440 | Crippen Calculated Property | |
| McVol | 198.550 | ml/mol | McGowan Calculated Property |
| Pc | 2021.76 | kPa | Joback Calculated Property |
| Inp | 1552.00 | NIST | |
| Tboil | 531.66 | K | Relay (1.0) Calculated Property |
| Tc | 717.74 | K | Relay (1.0) Calculated Property |
| Tfus | 225.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.680 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [485.51; 577.81] | J/mol×K | [587.76; 793.00] | 
|
| Cp,gas | 485.51 | J/mol×K | 587.76 | Joback Calculated Property |
| Cp,gas | 503.08 | J/mol×K | 621.97 | Joback Calculated Property |
| Cp,gas | 519.75 | J/mol×K | 656.17 | Joback Calculated Property |
| Cp,gas | 535.55 | J/mol×K | 690.38 | Joback Calculated Property |
| Cp,gas | 550.48 | J/mol×K | 724.59 | Joback Calculated Property |
| Cp,gas | 564.56 | J/mol×K | 758.80 | Joback Calculated Property |
| Cp,gas | 577.81 | J/mol×K | 793.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nonane, 3,4-bis-(methylthio), erythro.
Sources
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