- InChI
- InChI=1S/C10H13NO3S/c1-8(12)9-4-6-10(7-5-9)15(13,14)11(2)3/h4-7H,1-3H3
- InChI Key
- JJTSRGOGIDQHGO-UHFFFAOYSA-N
- Formula
- C10H13NO3S
- SMILES
- CC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
- Molecular Weight1
- 227.28
- 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 | 0.5776 | Relay (1.0) Calculated Property | |
| ΔfG° | -350.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -389.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.140 | Crippen Calculated Property | |
| McVol | 167.640 | ml/mol | McGowan Calculated Property |
| Pc | 3690.97 | kPa | Joback Calculated Property |
| Inp | [1925.00; 1925.00] |
|
|
| Inp | 1925.00 | NIST | |
| Inp | 1925.00 | NIST | |
| Tboil | 601.68 | K | Relay (1.0) Calculated Property |
| Tc | 827.45 | K | Relay (1.0) Calculated Property |
| Tfus | 415.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.618 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.36; 509.95] | 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 | 4.10000e+00 | |||
| Coefficient B | 9.44950e-01 | |||
| Coefficient C | -5.12660e-04 | |||
| Coefficient D | 7.35600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 225.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 277.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 323.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 364.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 400.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 431.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 457.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 479.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 496.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 509.95 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonamide, 4-methylcarbonyl-N,N-dimethyl-.
Sources
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