- InChI
- InChI=1S/C10H10BrNO4/c11-7-1-2-10(13)16-9-5-3-8(4-6-9)12(14)15/h3-6H,1-2,7H2
- InChI Key
- GAAZAZYRJDROIQ-UHFFFAOYSA-N
- Formula
- C10H10BrNO4
- SMILES
-
O=C(CCCBr)Oc1ccc([N+](=O)[O-])
cc1 - Molecular Weight1
- 288.10
- 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° | -47.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 2.675 | Crippen Calculated Property | |
| McVol | 170.360 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | 2009.00 | NIST | |
| Tboil | 754.15 | K | Joback Calculated Property |
| Tc | 1001.53 | K | Joback Calculated Property |
| Tfus | 516.97 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.95; 476.72] | J/mol×K | [754.15; 1001.53] | 
|
| Cp,gas | 425.95 | J/mol×K | 754.15 | Joback Calculated Property |
| Cp,gas | 436.57 | J/mol×K | 795.38 | Joback Calculated Property |
| Cp,gas | 446.26 | J/mol×K | 836.61 | Joback Calculated Property |
| Cp,gas | 455.09 | J/mol×K | 877.84 | Joback Calculated Property |
| Cp,gas | 463.08 | J/mol×K | 919.07 | Joback Calculated Property |
| Cp,gas | 470.27 | J/mol×K | 960.30 | Joback Calculated Property |
| Cp,gas | 476.72 | J/mol×K | 1001.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 4-nitrophenyl ester.
Sources
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