- InChI
- InChI=1S/C22H46S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24-3)21-23-2/h22H,4-21H2,1-3H3
- InChI Key
- JBUWPPATFRBVHZ-UHFFFAOYSA-N
- Formula
- C22H46S2
- SMILES
- CCCCCCCCCCCCCCCCCCC(CSC)SC
- Molecular Weight1
- 374.73
- 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 | 0.9075 | Relay (1.0) Calculated Property | |
| ΔfG° | 198.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.733 | Crippen Calculated Property | |
| McVol | 353.540 | ml/mol | McGowan Calculated Property |
| Pc | 924.99 | kPa | Joback Calculated Property |
| Inp | [2797.00; 2797.00] |
|
|
| Inp | 2797.00 | NIST | |
| Inp | 2797.00 | NIST | |
| Tboil | 639.24 | K | Relay (1.0) Calculated Property |
| Tc | 830.17 | K | Relay (1.0) Calculated Property |
| Tfus | 302.94 | K | Relay (1.0) Calculated Property |
| Vc | 1.322 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.88; 1208.05] | 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 | 2.04080e+01 | |||
| Coefficient B | 2.08854e+00 | |||
| Coefficient C | -1.09580e-03 | |||
| Coefficient D | 1.94900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 512.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 630.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 737.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 832.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 917.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 992.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1058.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1116.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1165.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1208.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Eicosane, 1,2-bis(methylthio).
Sources
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