- InChI
- InChI=1S/C4H8O4S/c5-9(6)7-3-1-2-4-8-9/h1-4H2
- InChI Key
- MGAFPXGQLWFEPK-UHFFFAOYSA-N
- Formula
- C4H8O4S
- SMILES
- O=S1(=O)OCCCCO1
- Molecular Weight1
- 152.17
- CAS
- 5732-44-5
- 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° | -631.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.06 | kJ/mol | Joback Calculated Property |
| log10WS | -0.38 | Crippen Calculated Property | |
| logPoct/wat | 0.058 | Crippen Calculated Property | |
| McVol | 96.190 | ml/mol | McGowan Calculated Property |
| Pc | 6663.89 | kPa | Joback Calculated Property |
| Tboil | 400.14 | K | Joback Calculated Property |
| Tc | 603.69 | K | Joback Calculated Property |
| Tfus | 318.00 ± 3.00 | K | NIST |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.02; 246.21] | J/mol×K | [400.14; 603.69] | 
|
| Cp,gas | 181.02 | J/mol×K | 400.14 | Joback Calculated Property |
| Cp,gas | 193.32 | J/mol×K | 434.06 | Joback Calculated Property |
| Cp,gas | 205.05 | J/mol×K | 467.99 | Joback Calculated Property |
| Cp,gas | 216.20 | J/mol×K | 501.91 | Joback Calculated Property |
| Cp,gas | 226.77 | J/mol×K | 535.84 | Joback Calculated Property |
| Cp,gas | 236.78 | J/mol×K | 569.76 | Joback Calculated Property |
| Cp,gas | 246.21 | J/mol×K | 603.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, cyclic sulphate.
Sources
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