- InChI
- InChI=1S/C11H12BrNO4/c12-8-2-1-3-11(14)17-10-6-4-9(5-7-10)13(15)16/h4-7H,1-3,8H2
- InChI Key
- GDGCLFKJKUESDK-UHFFFAOYSA-N
- Formula
- C11H12BrNO4
- SMILES
-
O=C(CCCCBr)Oc1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 302.12
- 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° | -39.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -274.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.12 | Crippen Calculated Property | |
| logPoct/wat | 3.065 | Crippen Calculated Property | |
| McVol | 184.450 | ml/mol | McGowan Calculated Property |
| Pc | 2982.79 | kPa | Joback Calculated Property |
| Inp | 2143.00 | NIST | |
| Tboil | 777.03 | K | Joback Calculated Property |
| Tc | 1019.47 | K | Joback Calculated Property |
| Tfus | 528.24 | K | Joback Calculated Property |
| Vc | 0.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [477.60; 531.31] | J/mol×K | [777.03; 1019.47] | 
|
| Cp,gas | 477.60 | J/mol×K | 777.03 | Joback Calculated Property |
| Cp,gas | 488.76 | J/mol×K | 817.44 | Joback Calculated Property |
| Cp,gas | 498.98 | J/mol×K | 857.84 | Joback Calculated Property |
| Cp,gas | 508.30 | J/mol×K | 898.25 | Joback Calculated Property |
| Cp,gas | 516.77 | J/mol×K | 938.66 | Joback Calculated Property |
| Cp,gas | 524.42 | J/mol×K | 979.06 | Joback Calculated Property |
| Cp,gas | 531.31 | J/mol×K | 1019.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 4-nitrophenyl ester.
Sources
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