- InChI
- InChI=1S/C14H28BrNO/c1-2-3-4-5-6-7-8-9-10-11-12-16-14(17)13-15/h2-13H2,1H3,(H,16,17)
- InChI Key
- PYTFETBMLNNDNW-UHFFFAOYSA-N
- Formula
- C14H28BrNO
- SMILES
- CCCCCCCCCCCCNC(=O)CBr
- Molecular Weight1
- 306.28
- 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 | 0.8754 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.418 | Crippen Calculated Property | |
| McVol | 237.170 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | [2132.00; 2132.00] |
|
|
| Inp | 2132.00 | NIST | |
| Inp | 2132.00 | NIST | |
| Tboil | 593.46 | K | Relay (1.0) Calculated Property |
| Tc | 804.33 | K | Relay (1.0) Calculated Property |
| Tfus | 329.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.65; 731.62] | J/mol×K | [689.92; 872.27] |
|
| Cp,gas | 647.65 | J/mol×K | 689.92 | Joback Calculated Property |
| Cp,gas | 663.50 | J/mol×K | 720.31 | Joback Calculated Property |
| Cp,gas | 678.57 | J/mol×K | 750.70 | Joback Calculated Property |
| Cp,gas | 692.89 | J/mol×K | 781.09 | Joback Calculated Property |
| Cp,gas | 706.48 | J/mol×K | 811.49 | Joback Calculated Property |
| Cp,gas | 719.38 | J/mol×K | 841.88 | Joback Calculated Property |
| Cp,gas | 731.62 | J/mol×K | 872.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromacetamide, N-dodecyl-.
Sources
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