- InChI
- InChI=1S/C8H19NO2S/c1-5-9(12(4,10)11)7-6-8(2)3/h8H,5-7H2,1-4H3
- InChI Key
- ZTOKWWWIRNEJPA-UHFFFAOYSA-N
- Formula
- C8H19NO2S
- SMILES
- CCN(CCC(C)C)S(C)(=O)=O
- Molecular Weight1
- 193.31
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5260 | Relay (1.0) Calculated Property | |
| ΔfG° | -343.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.314 | Crippen Calculated Property | |
| McVol | 161.650 | ml/mol | McGowan Calculated Property |
| Pc | 3002.44 | kPa | Joback Calculated Property |
| Inp | [1621.00; 1621.00] |
|
|
| Inp | 1621.00 | NIST | |
| Inp | 1621.00 | NIST | |
| Tboil | 554.46 | K | Relay (1.0) Calculated Property |
| Tc | 716.38 | K | Relay (1.0) Calculated Property |
| Tfus | 282.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.26; 421.84] | J/mol×K | [442.22; 606.26] |
|
| Cp,gas | 341.26 | J/mol×K | 442.22 | Joback Calculated Property |
| Cp,gas | 356.09 | J/mol×K | 469.56 | Joback Calculated Property |
| Cp,gas | 370.35 | J/mol×K | 496.90 | Joback Calculated Property |
| Cp,gas | 384.05 | J/mol×K | 524.24 | Joback Calculated Property |
| Cp,gas | 397.19 | J/mol×K | 551.58 | Joback Calculated Property |
| Cp,gas | 409.79 | J/mol×K | 578.92 | Joback Calculated Property |
| Cp,gas | 421.84 | J/mol×K | 606.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methylsulphonamide, N-ethyl-N-3-methylbutyl-.
Sources
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