- InChI
- InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
- InChI Key
- COVZYZSDYWQREU-UHFFFAOYSA-N
- Formula
- C6H14O6S2
- SMILES
- CS(=O)(=O)OCCCCOS(C)(=O)=O
- Molecular Weight1
- 246.31
- 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).
- 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° | -1147.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1338.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.04 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Rytting... | |
| logPoct/wat | -0.281 | Crippen Calculated Property | |
| McVol | 163.320 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 477.08 | K | Joback Calculated Property |
| Tc | 638.61 | K | Joback Calculated Property |
| Tfus | 278.96 | K | Joback Calculated Property |
| Vc | 0.659 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.86; 418.41] | J/mol×K | [477.08; 638.61] | 
|
| Cp,gas | 352.86 | J/mol×K | 477.08 | Joback Calculated Property |
| Cp,gas | 364.63 | J/mol×K | 504.00 | Joback Calculated Property |
| Cp,gas | 376.09 | J/mol×K | 530.92 | Joback Calculated Property |
| Cp,gas | 387.22 | J/mol×K | 557.85 | Joback Calculated Property |
| Cp,gas | 398.00 | J/mol×K | 584.77 | Joback Calculated Property |
| Cp,gas | 408.40 | J/mol×K | 611.69 | Joback Calculated Property |
| Cp,gas | 418.41 | J/mol×K | 638.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Busulfan.
Sources
- Crippen Method
- Joback Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
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