- InChI
- InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
- InChI Key
- DQKWXTIYGWPGOO-UHFFFAOYSA-N
- Formula
- C15H17Br2NO2
- SMILES
-
CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1
Br - Molecular Weight1
- 403.11
- CAS
- 86702-80-9
- Other Names
-
- Bromoxynil octanoate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 |
|---|---|---|---|
| ΔcH°solid | -7946.70 | kJ/mol | NIST |
| ΔfG° | 86.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -178.07 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -599.36 | kJ/mol | NIST |
| ΔfusH° | 42.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.75 | kJ/mol | Joback Calculated Property |
| log10WS | -6.98 | Crippen Calculated Property | |
| logPoct/wat | 5.349 | Crippen Calculated Property | |
| McVol | 242.270 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | 2316.00 | NIST | |
| Tboil | 894.91 | K | Joback Calculated Property |
| Tc | 1126.83 | K | Joback Calculated Property |
| Tfus | 579.54 | K | Joback Calculated Property |
| Vc | 0.942 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [640.43; 693.12] | J/mol×K | [894.91; 1126.83] | 
|
| Cp,gas | 640.43 | J/mol×K | 894.91 | Joback Calculated Property |
| Cp,gas | 651.17 | J/mol×K | 933.56 | Joback Calculated Property |
| Cp,gas | 661.06 | J/mol×K | 972.22 | Joback Calculated Property |
| Cp,gas | 670.17 | J/mol×K | 1010.87 | Joback Calculated Property |
| Cp,gas | 678.52 | J/mol×K | 1049.52 | Joback Calculated Property |
| Cp,gas | 686.16 | J/mol×K | 1088.17 | Joback Calculated Property |
| Cp,gas | 693.12 | J/mol×K | 1126.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzonitrile, 3,5-dibromo-4-octanoyloxy-.
Sources
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