- InChI
- InChI=1S/C19H38BrNO/c1-6-10-12-17(8-3)14-21(19(22)16(5)20)15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
- InChI Key
- UJEAGNRTIMDECU-UHFFFAOYSA-N
- Formula
- C19H38BrNO
- SMILES
-
CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(
C)Br - Molecular Weight1
- 376.42
- 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 | 0.8071 | Relay (1.0) Calculated Property | |
| ΔfG° | 97.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 307.620 | ml/mol | McGowan Calculated Property |
| Pc | 1198.96 | kPa | Joback Calculated Property |
| Inp | [2114.00; 2114.00] |
|
|
| Inp | 2114.00 | NIST | |
| Inp | 2114.00 | NIST | |
| Tboil | 603.48 | K | Relay (1.0) Calculated Property |
| Tc | 793.67 | K | Relay (1.0) Calculated Property |
| Tfus | 280.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.096 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [915.72; 1015.36] | J/mol×K | [765.27; 949.87] |
|
| Cp,gas | 915.72 | J/mol×K | 765.27 | Joback Calculated Property |
| Cp,gas | 934.66 | J/mol×K | 796.04 | Joback Calculated Property |
| Cp,gas | 952.60 | J/mol×K | 826.80 | Joback Calculated Property |
| Cp,gas | 969.59 | J/mol×K | 857.57 | Joback Calculated Property |
| Cp,gas | 985.68 | J/mol×K | 888.34 | Joback Calculated Property |
| Cp,gas | 1000.92 | J/mol×K | 919.11 | Joback Calculated Property |
| Cp,gas | 1015.36 | J/mol×K | 949.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-bis(2-ethylhexyl)-2-bromo-.
Sources
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