- InChI
- InChI=1S/C23H49NO2S/c1-4-6-8-10-12-14-16-18-20-22-24(27(3,25)26)23-21-19-17-15-13-11-9-7-5-2/h4-23H2,1-3H3
- InChI Key
- MCOGYFFONVUHSB-UHFFFAOYSA-N
- Formula
- C23H49NO2S
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)S(C)(
=O)=O - Molecular Weight1
- 403.71
- 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 | 1.0984 | Relay (1.0) Calculated Property | |
| ΔfG° | -214.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.310 | Crippen Calculated Property | |
| McVol | 373.000 | ml/mol | McGowan Calculated Property |
| Pc | 933.49 | kPa | Joback Calculated Property |
| Inp | [2885.00; 2885.00] |
|
|
| Inp | 2885.00 | NIST | |
| Inp | 2885.00 | NIST | |
| Tboil | 675.38 | K | Relay (1.0) Calculated Property |
| Tc | 865.58 | K | Relay (1.0) Calculated Property |
| Tfus | 329.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.436 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [554.92; 1313.18] | 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 | 4.53000e+00 | |||
| Coefficient B | 2.34635e+00 | |||
| Coefficient C | -1.27440e-03 | |||
| Coefficient D | 2.36700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 554.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 685.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 802.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 907.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1000.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1082.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1153.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1215.44 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1268.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1313.18 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonamide, N,N-diundecyl-.
Sources
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