- InChI
- InChI=1S/C5H12O3S/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3
- InChI Key
- LFLBHTZRLVHUQC-UHFFFAOYSA-N
- Formula
- C5H12O3S
- SMILES
- CCCCOS(C)(=O)=O
- Molecular Weight1
- 152.22
- Other Names
-
- n-Butyl methanesulfonate
- Butyl mesylate
- Butyl methanesulfonate
- butyl methanesulphonate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5252 | Relay (1.0) Calculated Property | |
| ΔfG° | -582.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -613.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.763 | Crippen Calculated Property | |
| McVol | 115.270 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Tboil | 499.80 | K | Relay (1.0) Calculated Property |
| Tc | 672.35 | K | Relay (1.0) Calculated Property |
| Tfus | 223.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.97; 365.01] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.70830e+01 | |||
| Coefficient B | 4.49230e-01 | |||
| Coefficient C | -7.16000e-05 | |||
| Coefficient D | -6.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 203.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 233.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 260.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 306.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 326.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 342.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 355.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 365.01 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonic acid, butyl ester.
Sources
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