- InChI
- InChI=1S/C21H42BrNO/c1-4-6-8-10-12-14-16-18-23(21(24)20(3)22)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
- InChI Key
- PHNYWZMKBRFRJU-UHFFFAOYSA-N
- Formula
- C21H42BrNO
- SMILES
-
CCCCCCCCCN(CCCCCCCCC)C(=O)C(C)
Br - Molecular Weight1
- 404.47
- 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 | 0.9912 | Relay (1.0) Calculated Property | |
| ΔfG° | 119.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.100 | Crippen Calculated Property | |
| McVol | 335.800 | ml/mol | McGowan Calculated Property |
| Pc | 1043.27 | kPa | Joback Calculated Property |
| Inp | [2550.00; 2550.00] |
|
|
| Inp | 2550.00 | NIST | |
| Inp | 2550.00 | NIST | |
| Tboil | 618.97 | K | Relay (1.0) Calculated Property |
| Tc | 819.05 | K | Relay (1.0) Calculated Property |
| Tfus | 327.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.262 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.00; 1138.21] | J/mol×K | [811.91; 997.46] |
|
| Cp,gas | 1036.00 | J/mol×K | 811.91 | Joback Calculated Property |
| Cp,gas | 1055.38 | J/mol×K | 842.84 | Joback Calculated Property |
| Cp,gas | 1073.75 | J/mol×K | 873.76 | Joback Calculated Property |
| Cp,gas | 1091.16 | J/mol×K | 904.69 | Joback Calculated Property |
| Cp,gas | 1107.67 | J/mol×K | 935.61 | Joback Calculated Property |
| Cp,gas | 1123.34 | J/mol×K | 966.54 | Joback Calculated Property |
| Cp,gas | 1138.21 | J/mol×K | 997.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dinonyl-2-bromo-.
Sources
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