- InChI
- InChI=1S/C12H26O2S/c1-2-3-4-5-6-7-11-15-12-10-14-9-8-13/h13H,2-12H2,1H3
- InChI Key
- OPFRXVSGBZCPFM-UHFFFAOYSA-N
- Formula
- C12H26O2S
- SMILES
- CCCCCCCCSCCOCCO
- Molecular Weight1
- 234.40
- 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° | -158.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.21 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 3.089 | Crippen Calculated Property | |
| McVol | 208.030 | ml/mol | McGowan Calculated Property |
| Pc | 1927.05 | kPa | Joback Calculated Property |
| Inp | [1830.00; 1830.00] |
|
|
| Inp | 1830.00 | NIST | |
| Inp | 1830.00 | NIST | |
| Tboil | 657.34 | K | Joback Calculated Property |
| Tc | 830.04 | K | Joback Calculated Property |
| Tfus | 342.45 | K | Joback Calculated Property |
| Vc | 0.798 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.53; 646.50] | J/mol×K | [657.34; 830.04] |
|
| Cp,gas | 568.53 | J/mol×K | 657.34 | Joback Calculated Property |
| Cp,gas | 583.10 | J/mol×K | 686.12 | Joback Calculated Property |
| Cp,gas | 597.03 | J/mol×K | 714.91 | Joback Calculated Property |
| Cp,gas | 610.33 | J/mol×K | 743.69 | Joback Calculated Property |
| Cp,gas | 623.00 | J/mol×K | 772.47 | Joback Calculated Property |
| Cp,gas | 635.05 | J/mol×K | 801.26 | Joback Calculated Property |
| Cp,gas | 646.50 | J/mol×K | 830.04 | Joback Calculated Property |
Similar Compounds
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Sources
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