- InChI
- InChI=1S/C12H14BrNO2/c13-11-6-2-1-5-10(11)12(15)14-8-9-4-3-7-16-9/h1-2,5-6,9H,3-4,7-8H2,(H,14,15)
- InChI Key
- AMXQJNHGAOPECX-UHFFFAOYSA-N
- Formula
- C12H14BrNO2
- SMILES
- O=C(NCC1CCCO1)c1ccccc1Br
- Molecular Weight1
- 284.15
- 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° | 78.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 2.358 | Crippen Calculated Property | |
| McVol | 180.240 | ml/mol | McGowan Calculated Property |
| Pc | 3310.55 | kPa | Joback Calculated Property |
| Inp | [2063.00; 2063.00] |
|
|
| Inp | 2063.00 | NIST | |
| Inp | 2063.00 | NIST | |
| Tboil | 718.05 | K | Joback Calculated Property |
| Tc | 964.82 | K | Joback Calculated Property |
| Tfus | 463.80 | K | Joback Calculated Property |
| Vc | 0.664 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [476.86; 547.34] | J/mol×K | [718.05; 964.82] |
|
| Cp,gas | 476.86 | J/mol×K | 718.05 | Joback Calculated Property |
| Cp,gas | 491.34 | J/mol×K | 759.18 | Joback Calculated Property |
| Cp,gas | 504.61 | J/mol×K | 800.31 | Joback Calculated Property |
| Cp,gas | 516.77 | J/mol×K | 841.44 | Joback Calculated Property |
| Cp,gas | 527.88 | J/mol×K | 882.57 | Joback Calculated Property |
| Cp,gas | 538.05 | J/mol×K | 923.69 | Joback Calculated Property |
| Cp,gas | 547.34 | J/mol×K | 964.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-tetrahydrofurfuryl-2-bromo-.
Sources
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