- InChI
- InChI=1S/C11H24S2/c1-5-6-7-8-9-11(13-4)10(2)12-3/h10-11H,5-9H2,1-4H3/t10-,11+/m0/s1
- InChI Key
- XTCRGULHQLHBIO-WDEREUQCSA-N
- Formula
- C11H24S2
- SMILES
- CCCCCC[C@@H](SC)[C@H](C)SC
- Molecular Weight1
- 220.45
- 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 | 0.4491 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | 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 | 1584.00 | NIST | |
| Tboil | 544.86 | K | Relay (1.0) Calculated Property |
| Tc | 727.46 | K | Relay (1.0) Calculated Property |
| Tfus | 231.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.714 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.21; 641.09] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.87250e+01 | |||
| Coefficient B | 1.04946e+00 | |||
| Coefficient C | -5.00600e-04 | |||
| Coefficient D | 6.35000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 279.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 340.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 395.45 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 445.29 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 489.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 529.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 564.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 594.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 619.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 641.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonane, 2,3-bis-(methylthio), erythro.
Sources
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