- InChI
- InChI=1S/C18H36S/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-16-15-17(2)19-18/h17-18H,3-16H2,1-2H3
- InChI Key
- LYFJDRZCTYKLQZ-UHFFFAOYSA-N
- Formula
- C18H36S
- SMILES
- CCCCCCCCCCCCCC1CCC(C)S1
- Molecular Weight1
- 284.54
- Other Names
-
- 2-Methyl-5-tridecylthiolane
- 2-Methyl-5-tridecylthiolane (cis + trans)
- 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° | 169.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.42 | kJ/mol | Joback Calculated Property |
| log10WS | -7.36 | Crippen Calculated Property | |
| logPoct/wat | 6.972 | Crippen Calculated Property | |
| McVol | 269.970 | ml/mol | McGowan Calculated Property |
| Pc | 1270.97 | kPa | Joback Calculated Property |
| Inp | [2113.00; 2116.00] |
|
|
| Inp | 2113.00 | NIST | |
| Inp | 2116.00 | NIST | |
| Inp | 2115.90 | NIST | |
| Inp | 2113.00 | NIST | |
| Inp | 2113.00 | NIST | |
| Tboil | 669.68 | K | Joback Calculated Property |
| Tc | 854.21 | K | Joback Calculated Property |
| Tfus | 382.73 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [779.49; 895.70] | J/mol×K | [669.68; 854.21] |
|
| Cp,gas | 779.49 | J/mol×K | 669.68 | Joback Calculated Property |
| Cp,gas | 801.45 | J/mol×K | 700.44 | Joback Calculated Property |
| Cp,gas | 822.33 | J/mol×K | 731.19 | Joback Calculated Property |
| Cp,gas | 842.16 | J/mol×K | 761.95 | Joback Calculated Property |
| Cp,gas | 860.97 | J/mol×K | 792.70 | Joback Calculated Property |
| Cp,gas | 878.80 | J/mol×K | 823.46 | Joback Calculated Property |
| Cp,gas | 895.70 | J/mol×K | 854.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Thiolane, 2-methyl-5-tridecyl.
Sources
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