- InChI
- InChI=1S/C28H58S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(30-3)27-29-2/h28H,4-27H2,1-3H3
- InChI Key
- NSICRTSHVHWNQQ-UHFFFAOYSA-N
- Formula
- C28H58S2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCC(CSC)
SC - Molecular Weight1
- 458.89
- 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° | 248.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -542.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.17 | kJ/mol | Joback Calculated Property |
| log10WS | -11.42 | Crippen Calculated Property | |
| logPoct/wat | 11.073 | Crippen Calculated Property | |
| McVol | 438.080 | ml/mol | McGowan Calculated Property |
| Pc | 669.77 | kPa | Joback Calculated Property |
| Inp | 3425.00 | NIST | |
| Tboil | 977.16 | K | Joback Calculated Property |
| Tc | 1200.54 | K | Joback Calculated Property |
| Tfus | 459.12 | K | Joback Calculated Property |
| Vc | 1.706 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1503.26; 1617.61] | J/mol×K | [977.16; 1200.54] | 
|
| Cp,gas | 1503.26 | J/mol×K | 977.16 | Joback Calculated Property |
| Cp,gas | 1526.29 | J/mol×K | 1014.39 | Joback Calculated Property |
| Cp,gas | 1547.62 | J/mol×K | 1051.62 | Joback Calculated Property |
| Cp,gas | 1567.33 | J/mol×K | 1088.85 | Joback Calculated Property |
| Cp,gas | 1585.51 | J/mol×K | 1126.08 | Joback Calculated Property |
| Cp,gas | 1602.25 | J/mol×K | 1163.31 | Joback Calculated Property |
| Cp,gas | 1617.61 | J/mol×K | 1200.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosane, 1,2-bis(methylthio).
Sources
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