- InChI
- InChI=1S/C32H66S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
- InChI Key
- GUBWMRCVCQFLOJ-UHFFFAOYSA-N
- Formula
- C32H66S2
- SMILES
-
CCCCCCCCCCCCCCCCSSCCCCCCCCCCCC
CCCC - Molecular Weight1
- 515.00
- CAS
- 1561-75-7
- Other Names
-
- Hexadecyl disulfide
- dihexadecyl disulphide
- 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).
- 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 | 1.3055 | Relay (1.0) Calculated Property | |
| ΔfG° | 284.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 86.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 170.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.330 | Crippen Calculated Property | |
| McVol | 494.440 | ml/mol | McGowan Calculated Property |
| Pc | 552.07 | kPa | Joback Calculated Property |
| Tboil | 706.94 | K | Relay (1.0) Calculated Property |
| Tc | 883.02 | K | Relay (1.0) Calculated Property |
| Tfus | 327.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.925 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [725.33; 1723.42] | 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 | 1.30000e+01 | |||
| Coefficient B | 3.03262e+00 | |||
| Coefficient C | -1.63660e-03 | |||
| Coefficient D | 3.14400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 725.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 894.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1047.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1184.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1305.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1413.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1507.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1590.48 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1661.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1723.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Disulfide, dihexadecyl.
Sources
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