- InChI
- InChI=1S/C8H18O3S/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3
- InChI Key
- FEYYOXFAQQJEIG-UHFFFAOYSA-N
- Formula
- C8H18O3S
- SMILES
- CCCCOS(=O)OCCCC
- Molecular Weight1
- 194.29
- CAS
- 626-85-7
- Other Names
-
- Butyl sulfite (Bu2SO3)
- Di-n-butyl sulphite
- Dibutyl sulfite
- Dibutyl sulphite
- Sulphurous acid dibutyl ester
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°liquid | -5629.80 ± 1.90 | kJ/mol | NIST |
| ΔfG° | -411.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.10 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | -692.90 ± 4.20 | kJ/mol | NIST |
| ΔfusH° | 26.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.00 ± 2.00 | kJ/mol | NIST |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 2.199 | Crippen Calculated Property | |
| McVol | 157.540 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Tboil | 485.56 | K | Joback Calculated Property |
| Tc | 658.13 | K | Joback Calculated Property |
| Tfus | 260.86 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [349.03; 422.40] | J/mol×K | [485.56; 658.13] | 
|
| Cp,gas | 349.03 | J/mol×K | 485.56 | Joback Calculated Property |
| Cp,gas | 362.31 | J/mol×K | 514.32 | Joback Calculated Property |
| Cp,gas | 375.18 | J/mol×K | 543.08 | Joback Calculated Property |
| Cp,gas | 387.64 | J/mol×K | 571.84 | Joback Calculated Property |
| Cp,gas | 399.67 | J/mol×K | 600.61 | Joback Calculated Property |
| Cp,gas | 411.26 | J/mol×K | 629.37 | Joback Calculated Property |
| Cp,gas | 422.40 | J/mol×K | 658.13 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [361.52; 555.12] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.25901e+01 | |||
| Coefficient B | -3.45077e+03 | |||
| Coefficient C | -8.10260e+01 | |||
| Temperature range, min. | 361.52 | |||
| Temperature range, max. | 555.12 | |||
| Pvap | 1.33 | kPa | 361.52 | Calculated Property |
| Pvap | 3.20 | kPa | 383.03 | Calculated Property |
| Pvap | 6.85 | kPa | 404.54 | Calculated Property |
| Pvap | 13.31 | kPa | 426.05 | Calculated Property |
| Pvap | 23.94 | kPa | 447.56 | Calculated Property |
| Pvap | 40.34 | kPa | 469.08 | Calculated Property |
| Pvap | 64.36 | kPa | 490.59 | Calculated Property |
| Pvap | 98.00 | kPa | 512.10 | Calculated Property |
| Pvap | 143.37 | kPa | 533.61 | Calculated Property |
| Pvap | 202.63 | kPa | 555.12 | Calculated Property |
Similar Compounds
Find more compounds similar to Sulfurous acid, dibutyl ester.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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