- InChI
- InChI=1S/C17H34BrNO/c1-4-6-8-10-12-14-19(17(20)16(3)18)15-13-11-9-7-5-2/h16H,4-15H2,1-3H3
- InChI Key
- RRKJZCUZIGJJIJ-UHFFFAOYSA-N
- Formula
- C17H34BrNO
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)C(C)Br
- Molecular Weight1
- 348.36
- 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 | 0.8497 | Relay (1.0) Calculated Property | |
| ΔfG° | 86.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.539 | Crippen Calculated Property | |
| McVol | 279.440 | ml/mol | McGowan Calculated Property |
| Pc | 1359.63 | kPa | Joback Calculated Property |
| Inp | 2141.00 | NIST | |
| Tboil | 591.35 | K | Relay (1.0) Calculated Property |
| Tc | 786.86 | K | Relay (1.0) Calculated Property |
| Tfus | 315.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [797.26; 891.88] | J/mol×K | [720.39; 900.24] | 
|
| Cp,gas | 797.26 | J/mol×K | 720.39 | Joback Calculated Property |
| Cp,gas | 815.14 | J/mol×K | 750.37 | Joback Calculated Property |
| Cp,gas | 832.12 | J/mol×K | 780.34 | Joback Calculated Property |
| Cp,gas | 848.24 | J/mol×K | 810.32 | Joback Calculated Property |
| Cp,gas | 863.55 | J/mol×K | 840.29 | Joback Calculated Property |
| Cp,gas | 878.08 | J/mol×K | 870.27 | Joback Calculated Property |
| Cp,gas | 891.88 | J/mol×K | 900.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diheptyl-2-bromo-.
Sources
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