- InChI
- InChI=1S/C13H26BrNO/c1-3-5-11-15(12-6-4-2)13(16)9-7-8-10-14/h3-12H2,1-2H3
- InChI Key
- YZXXOVLXZCQHGQ-UHFFFAOYSA-N
- Formula
- C13H26BrNO
- SMILES
- CCCCN(CCCC)C(=O)CCCCBr
- Molecular Weight1
- 292.26
- 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 | 0.7801 | Relay (1.0) Calculated Property | |
| ΔfG° | 54.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.980 | Crippen Calculated Property | |
| McVol | 223.080 | ml/mol | McGowan Calculated Property |
| Pc | 1832.54 | kPa | Joback Calculated Property |
| Inp | 1883.00 | NIST | |
| Tboil | 580.96 | K | Relay (1.0) Calculated Property |
| Tc | 760.81 | K | Relay (1.0) Calculated Property |
| Tfus | 274.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.812 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [575.15; 660.20] | J/mol×K | [629.31; 808.93] | 
|
| Cp,gas | 575.15 | J/mol×K | 629.31 | Joback Calculated Property |
| Cp,gas | 591.20 | J/mol×K | 659.25 | Joback Calculated Property |
| Cp,gas | 606.45 | J/mol×K | 689.18 | Joback Calculated Property |
| Cp,gas | 620.94 | J/mol×K | 719.12 | Joback Calculated Property |
| Cp,gas | 634.71 | J/mol×K | 749.05 | Joback Calculated Property |
| Cp,gas | 647.78 | J/mol×K | 778.99 | Joback Calculated Property |
| Cp,gas | 660.20 | J/mol×K | 808.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentanamide, N,N-dibutyl-5-bromo-.
Sources
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