- InChI
- InChI=1S/C22H46S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
- InChI Key
- RDOYGXODZMRGKD-UHFFFAOYSA-N
- Formula
- C22H46S
- SMILES
- CCCCCCCCCCCSCCCCCCCCCCC
- Molecular Weight1
- 342.67
- CAS
- 35599-82-7
- Other Names
-
- 1-(Undecylsulfanyl)undecane
- Diundecyl sulfide
- Undecane, 1-(undecylthio)-
- 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° | 167.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.38 | kJ/mol | Joback Calculated Property |
| log10WS | -8.92 | Crippen Calculated Property | |
| logPoct/wat | 8.781 | Crippen Calculated Property | |
| McVol | 337.190 | ml/mol | McGowan Calculated Property |
| Pc | 911.08 | kPa | Joback Calculated Property |
| Inp | [2481.00; 2481.00] |
|
|
| Inp | 2481.00 | NIST | |
| Inp | 2481.00 | NIST | |
| Tboil | 771.54 | K | Joback Calculated Property |
| Tc | 949.40 | K | Joback Calculated Property |
| Tfus | 372.10 | K | Joback Calculated Property |
| Vc | 1.321 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.74; 1154.83] | J/mol×K | [771.54; 949.40] |
|
| Cp,gas | 1041.74 | J/mol×K | 771.54 | Joback Calculated Property |
| Cp,gas | 1063.09 | J/mol×K | 801.18 | Joback Calculated Property |
| Cp,gas | 1083.40 | J/mol×K | 830.83 | Joback Calculated Property |
| Cp,gas | 1102.69 | J/mol×K | 860.47 | Joback Calculated Property |
| Cp,gas | 1121.00 | J/mol×K | 890.11 | Joback Calculated Property |
| Cp,gas | 1138.37 | J/mol×K | 919.76 | Joback Calculated Property |
| Cp,gas | 1154.83 | J/mol×K | 949.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecyl sulfide.
Sources
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