- 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
- 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 | 0.8733 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.11 | Relay (1.0) 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 | 593.12 | K | Relay (1.0) Calculated Property |
| Tc | 781.41 | K | Relay (1.0) Calculated Property |
| Tfus | 274.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.770 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.46; 702.18] | 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 | 4.23710e+01 | |||
| Coefficient B | 1.10901e+00 | |||
| Coefficient C | -5.08200e-04 | |||
| Coefficient D | 5.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 308.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 373.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 433.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 486.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 535.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 578.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 616.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 649.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 678.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 702.18 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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Sources
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