- InChI
- InChI=1S/C14H30O3S/c1-2-3-4-5-6-7-13-18-14-12-17-11-10-16-9-8-15/h15H,2-14H2,1H3
- InChI Key
- PQTOSHDDJMDWTF-UHFFFAOYSA-N
- Formula
- C14H30O3S
- SMILES
- CCCCCCCCSCCOCCOCCO
- Molecular Weight1
- 278.45
- 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° | -246.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.07 | kJ/mol | Joback Calculated Property |
| log10WS | -3.00 | Crippen Calculated Property | |
| logPoct/wat | 3.106 | Crippen Calculated Property | |
| McVol | 242.080 | ml/mol | McGowan Calculated Property |
| Pc | 1616.77 | kPa | Joback Calculated Property |
| Inp | [2123.00; 2123.00] |
|
|
| Inp | 2123.00 | NIST | |
| Inp | 2123.00 | NIST | |
| Tboil | 725.52 | K | Joback Calculated Property |
| Tc | 899.95 | K | Joback Calculated Property |
| Tfus | 387.22 | K | Joback Calculated Property |
| Vc | 0.928 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.00; 788.81] | J/mol×K | [725.52; 899.95] |
|
| Cp,gas | 707.00 | J/mol×K | 725.52 | Joback Calculated Property |
| Cp,gas | 722.50 | J/mol×K | 754.59 | Joback Calculated Property |
| Cp,gas | 737.24 | J/mol×K | 783.66 | Joback Calculated Property |
| Cp,gas | 751.24 | J/mol×K | 812.74 | Joback Calculated Property |
| Cp,gas | 764.50 | J/mol×K | 841.81 | Joback Calculated Property |
| Cp,gas | 777.02 | J/mol×K | 870.88 | Joback Calculated Property |
| Cp,gas | 788.81 | J/mol×K | 899.95 | Joback Calculated Property |
Similar Compounds
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Sources
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