- InChI
- InChI=1S/C21H34BrNO/c1-3-5-7-9-11-16-23(17-12-10-8-6-4-2)21(24)19-14-13-15-20(22)18-19/h13-15,18H,3-12,16-17H2,1-2H3
- InChI Key
- TXRYYWOQIWGWTC-UHFFFAOYSA-N
- Formula
- C21H34BrNO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)c1cccc(B
r)c1 - Molecular Weight1
- 396.40
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 224.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -270.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.50 | kJ/mol | Joback Calculated Property |
| log10WS | -7.80 | Crippen Calculated Property | |
| logPoct/wat | 6.832 | Crippen Calculated Property | |
| McVol | 312.040 | ml/mol | McGowan Calculated Property |
| Pc | 1286.51 | kPa | Joback Calculated Property |
| Inp | [2532.00; 2532.00] |
|
|
| Inp | 2532.00 | NIST | |
| Inp | 2532.00 | NIST | |
| Tboil | 844.01 | K | Joback Calculated Property |
| Tc | 1045.57 | K | Joback Calculated Property |
| Tfus | 507.57 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.83; 1035.01] | J/mol×K | [844.01; 1045.57] |
|
| Cp,gas | 944.83 | J/mol×K | 844.01 | Joback Calculated Property |
| Cp,gas | 962.19 | J/mol×K | 877.60 | Joback Calculated Property |
| Cp,gas | 978.53 | J/mol×K | 911.20 | Joback Calculated Property |
| Cp,gas | 993.91 | J/mol×K | 944.79 | Joback Calculated Property |
| Cp,gas | 1008.40 | J/mol×K | 978.39 | Joback Calculated Property |
| Cp,gas | 1022.08 | J/mol×K | 1011.98 | Joback Calculated Property |
| Cp,gas | 1035.01 | J/mol×K | 1045.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N,N-diheptyl-3-bromo-.
Sources
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