- InChI
- InChI=1S/C13H28S2/c1-5-7-8-9-10-11-13(15-4)12(6-2)14-3/h12-13H,5-11H2,1-4H3/t12-,13+/m1/s1
- InChI Key
- YRIYGKXBXUSKCI-OLZOCXBDSA-N
- Formula
- C13H28S2
- SMILES
- CCCCCCCC(SC)C(CC)SC
- Molecular Weight1
- 248.49
- 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° | 119.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.39 | kJ/mol | Joback Calculated Property |
| log10WS | -5.26 | Crippen Calculated Property | |
| logPoct/wat | 5.220 | Crippen Calculated Property | |
| McVol | 226.730 | ml/mol | McGowan Calculated Property |
| Pc | 1713.19 | kPa | Joback Calculated Property |
| Inp | [1745.00; 1745.00] |
|
|
| Inp | 1745.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Tboil | 633.52 | K | Joback Calculated Property |
| Tc | 832.98 | K | Joback Calculated Property |
| Tfus | 275.07 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.75; 686.98] | J/mol×K | [633.52; 832.98] |
|
| Cp,gas | 589.75 | J/mol×K | 633.52 | Joback Calculated Property |
| Cp,gas | 608.29 | J/mol×K | 666.76 | Joback Calculated Property |
| Cp,gas | 625.87 | J/mol×K | 700.01 | Joback Calculated Property |
| Cp,gas | 642.51 | J/mol×K | 733.25 | Joback Calculated Property |
| Cp,gas | 658.23 | J/mol×K | 766.50 | Joback Calculated Property |
| Cp,gas | 673.04 | J/mol×K | 799.74 | Joback Calculated Property |
| Cp,gas | 686.98 | J/mol×K | 832.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Undecane, 3,4-bis-(methylthio), erythro.
Sources
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