- InChI
- InChI=1S/C27H56S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(29-3)26-28-2/h27H,4-26H2,1-3H3
- InChI Key
- HZAHQJWPGNXPCN-UHFFFAOYSA-N
- Formula
- C27H56S2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCC(CSC)S
C - Molecular Weight1
- 444.86
- 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° | 240.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -522.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.94 | kJ/mol | Joback Calculated Property |
| log10WS | -11.00 | Crippen Calculated Property | |
| logPoct/wat | 10.683 | Crippen Calculated Property | |
| McVol | 423.990 | ml/mol | McGowan Calculated Property |
| Pc | 704.33 | kPa | Joback Calculated Property |
| Inp | [3324.00; 3324.00] |
|
|
| Inp | 3324.00 | NIST | |
| Inp | 3324.00 | NIST | |
| Tboil | 954.28 | K | Joback Calculated Property |
| Tc | 1170.03 | K | Joback Calculated Property |
| Tfus | 447.85 | K | Joback Calculated Property |
| Vc | 1.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1437.69; 1550.29] | J/mol×K | [954.28; 1170.03] |
|
| Cp,gas | 1437.69 | J/mol×K | 954.28 | Joback Calculated Property |
| Cp,gas | 1460.17 | J/mol×K | 990.24 | Joback Calculated Property |
| Cp,gas | 1481.08 | J/mol×K | 1026.20 | Joback Calculated Property |
| Cp,gas | 1500.47 | J/mol×K | 1062.16 | Joback Calculated Property |
| Cp,gas | 1518.42 | J/mol×K | 1098.11 | Joback Calculated Property |
| Cp,gas | 1535.00 | J/mol×K | 1134.07 | Joback Calculated Property |
| Cp,gas | 1550.29 | J/mol×K | 1170.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane, 1,2-bis(methylthio).
Sources
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