- InChI
- InChI=1S/C12H26O3S/c1-2-3-4-5-11-16-12-10-15-9-8-14-7-6-13/h13H,2-12H2,1H3
- InChI Key
- WRKMHGBLFGTHHZ-UHFFFAOYSA-N
- Formula
- C12H26O3S
- SMILES
- CCCCCCSCCOCCOCCO
- Molecular Weight1
- 250.40
- 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 | 0.9045 | Relay (1.0) Calculated Property | |
| ΔfG° | -263.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.13 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.325 | Crippen Calculated Property | |
| McVol | 213.900 | ml/mol | McGowan Calculated Property |
| Pc | 1898.60 | kPa | Joback Calculated Property |
| Inp | [1844.00; 1844.00] |
|
|
| Inp | 1844.00 | NIST | |
| Inp | 1844.00 | NIST | |
| Tboil | 606.24 | K | Relay (1.0) Calculated Property |
| Tc | 790.56 | K | Relay (1.0) Calculated Property |
| Tfus | 262.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.789 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.55; 673.53] | J/mol×K | [679.76; 852.95] |
|
| Cp,gas | 596.55 | J/mol×K | 679.76 | Joback Calculated Property |
| Cp,gas | 611.00 | J/mol×K | 708.62 | Joback Calculated Property |
| Cp,gas | 624.80 | J/mol×K | 737.49 | Joback Calculated Property |
| Cp,gas | 637.95 | J/mol×K | 766.35 | Joback Calculated Property |
| Cp,gas | 650.45 | J/mol×K | 795.22 | Joback Calculated Property |
| Cp,gas | 662.31 | J/mol×K | 824.08 | Joback Calculated Property |
| Cp,gas | 673.53 | J/mol×K | 852.95 | Joback Calculated Property |
Similar Compounds
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Sources
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