- InChI
- InChI=1S/C24H50S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26-3)23-25-2/h24H,4-23H2,1-3H3
- InChI Key
- FWSRWCPBZDYKSH-UHFFFAOYSA-N
- Formula
- C24H50S2
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(CSC)SC
- Molecular Weight1
- 402.78
- 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 | 0.9774 | Relay (1.0) Calculated Property | |
| ΔfG° | 215.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -481.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.513 | Crippen Calculated Property | |
| McVol | 381.720 | ml/mol | McGowan Calculated Property |
| Pc | 825.74 | kPa | Joback Calculated Property |
| Inp | [3006.00; 3006.00] |
|
|
| Inp | 3006.00 | NIST | |
| Inp | 3006.00 | NIST | |
| Tboil | 651.57 | K | Relay (1.0) Calculated Property |
| Tc | 843.02 | K | Relay (1.0) Calculated Property |
| Tfus | 309.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.433 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.30; 1311.23] | 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 | 1.85900e+01 | |||
| Coefficient B | 2.27854e+00 | |||
| Coefficient C | -1.20460e-03 | |||
| Coefficient D | 2.18700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 555.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 683.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 799.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 902.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 995.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1076.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1148.58 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1211.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1265.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1311.23 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Docosane, 1,2-bis(methylthio).
Sources
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