- 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
- 305.52
- 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° | 99.75 | 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 | 813.19 | K | Relay (1.0) Calculated Property |
| Tfus | 308.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.043 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.65; 853.78] | J/mol×K | [625.70; 784.08] |
|
| Cp,gas | 750.65 | J/mol×K | 625.70 | Joback Calculated Property |
| Cp,gas | 769.85 | J/mol×K | 652.10 | Joback Calculated Property |
| Cp,gas | 788.22 | J/mol×K | 678.49 | Joback Calculated Property |
| Cp,gas | 805.78 | J/mol×K | 704.89 | Joback Calculated Property |
| Cp,gas | 822.55 | J/mol×K | 731.28 | Joback Calculated Property |
| Cp,gas | 838.55 | J/mol×K | 757.68 | Joback Calculated Property |
| Cp,gas | 853.78 | J/mol×K | 784.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methanesulfonamide, N-heptyl-N-octyl-.
Sources
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