- InChI
- InChI=1S/C16H35NO2S/c1-4-6-8-10-12-14-16-17(20(3,18)19)15-13-11-9-7-5-2/h4-16H2,1-3H3
- InChI Key
- XEQDEIVUFVKGQP-UHFFFAOYSA-N
- Formula
- C16H35NO2S
- SMILES
- CCCCCCCCN(CCCCCCC)S(C)(=O)=O
- Molecular Weight1
- 305.53
- 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 | 0.8534 | Relay (1.0) Calculated Property | |
| ΔfG° | -273.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.579 | Crippen Calculated Property | |
| McVol | 274.370 | ml/mol | McGowan Calculated Property |
| Pc | 1478.15 | kPa | Joback Calculated Property |
| Inp | [2157.00; 2157.00] |
|
|
| Inp | 2157.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Tboil | 628.81 | K | Relay (1.0) Calculated Property |
| Tc | 816.67 | K | Relay (1.0) Calculated Property |
| Tfus | 301.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [406.42; 952.04] | 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 | 1.08930e+01 | |||
| Coefficient B | 1.68135e+00 | |||
| Coefficient C | -8.93600e-04 | |||
| Coefficient D | 1.53400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 406.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 500.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 585.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 661.03 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 728.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 787.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 838.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 882.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 920.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 952.04 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonamide, N-heptyl-N-octyl-.
Sources
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