- InChI
- InChI=1S/C19H38BrNO/c1-3-5-7-9-13-17-21(18-14-10-8-6-4-2)19(22)15-11-12-16-20/h3-18H2,1-2H3
- InChI Key
- IPGHIRQAGPYPHE-UHFFFAOYSA-N
- Formula
- C19H38BrNO
- SMILES
- CCCCCCCN(CCCCCCC)C(=O)CCCCBr
- Molecular Weight1
- 376.42
- 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° | 105.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.11 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 6.321 | Crippen Calculated Property | |
| McVol | 307.620 | ml/mol | McGowan Calculated Property |
| Pc | 1179.28 | kPa | Joback Calculated Property |
| Inp | 2463.00 | NIST | |
| Tboil | 766.59 | K | Joback Calculated Property |
| Tc | 946.64 | K | Joback Calculated Property |
| Tfus | 446.09 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [914.30; 1011.99] | J/mol×K | [766.59; 946.64] | 
|
| Cp,gas | 914.30 | J/mol×K | 766.59 | Joback Calculated Property |
| Cp,gas | 932.74 | J/mol×K | 796.60 | Joback Calculated Property |
| Cp,gas | 950.26 | J/mol×K | 826.61 | Joback Calculated Property |
| Cp,gas | 966.89 | J/mol×K | 856.62 | Joback Calculated Property |
| Cp,gas | 982.70 | J/mol×K | 886.62 | Joback Calculated Property |
| Cp,gas | 997.71 | J/mol×K | 916.63 | Joback Calculated Property |
| Cp,gas | 1011.99 | J/mol×K | 946.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-diheptyl-5-bromo-.
Sources
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