- InChI
- InChI=1S/C9H18S/c1-3-4-5-9-7-6-8(2)10-9/h8-9H,3-7H2,1-2H3
- InChI Key
- FNILMZRAWFXDDT-UHFFFAOYSA-N
- Formula
- C9H18S
- SMILES
- CCCCC1CCC(C)S1
- Molecular Weight1
- 158.30
- 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° | 93.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -143.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.461 | Crippen Calculated Property | |
| McVol | 143.160 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Inp | [1164.00; 1166.00] |
|
|
| Inp | 1164.00 | NIST | |
| Inp | 1166.00 | NIST | |
| Tboil | 463.76 | K | Joback Calculated Property |
| Tc | 668.83 | K | Joback Calculated Property |
| Tfus | 281.30 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.63; 402.16] | J/mol×K | [463.76; 668.83] |
|
| Cp,gas | 307.63 | J/mol×K | 463.76 | Joback Calculated Property |
| Cp,gas | 325.53 | J/mol×K | 497.94 | Joback Calculated Property |
| Cp,gas | 342.54 | J/mol×K | 532.12 | Joback Calculated Property |
| Cp,gas | 358.68 | J/mol×K | 566.29 | Joback Calculated Property |
| Cp,gas | 373.97 | J/mol×K | 600.47 | Joback Calculated Property |
| Cp,gas | 388.46 | J/mol×K | 634.65 | Joback Calculated Property |
| Cp,gas | 402.16 | J/mol×K | 668.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butyl-5-methylthiolane.
Sources
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