- InChI
- InChI=1S/C11H24S/c1-4-6-7-8-11(3)10-12-9-5-2/h11H,4-10H2,1-3H3
- InChI Key
- HSJWPFRQUVKUQP-UHFFFAOYSA-N
- Formula
- C11H24S
- SMILES
- CCCCCC(C)CSCCC
- Molecular Weight1
- 188.37
- 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 | 0.4829 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.346 | Crippen Calculated Property | |
| McVol | 182.200 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [1301.00; 1301.00] |
|
|
| Inp | 1301.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Tboil | 499.41 | K | Relay (1.0) Calculated Property |
| Tc | 686.74 | K | Relay (1.0) Calculated Property |
| Tfus | 199.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.669 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.02; 613.96] | 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 | 1.08070e+01 | |||
| Coefficient B | 1.04915e+00 | |||
| Coefficient C | -5.37600e-04 | |||
| Coefficient D | 9.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 259.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 318.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 372.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 421.24 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 464.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 503.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 536.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 566.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 592.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 613.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-methyl-4-thiaundecane.
Sources
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