- InChI
- InChI=1S/C12H14BrNO4/c13-9-3-1-2-4-12(15)18-11-7-5-10(6-8-11)14(16)17/h5-8H,1-4,9H2
- InChI Key
- IGFDRPHVXMUTLG-UHFFFAOYSA-N
- Formula
- C12H14BrNO4
- SMILES
-
O=C(CCCCCBr)Oc1ccc([N+](=O)[O-
])cc1 - Molecular Weight1
- 316.15
- 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° | -31.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -295.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.54 | Crippen Calculated Property | |
| logPoct/wat | 3.455 | Crippen Calculated Property | |
| McVol | 198.540 | ml/mol | McGowan Calculated Property |
| Pc | 2693.00 | kPa | Joback Calculated Property |
| Inp | 2262.00 | NIST | |
| Tboil | 799.91 | K | Joback Calculated Property |
| Tc | 1037.94 | K | Joback Calculated Property |
| Tfus | 539.51 | K | Joback Calculated Property |
| Vc | 0.767 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.41; 586.61] | J/mol×K | [799.91; 1037.94] | 
|
| Cp,gas | 530.41 | J/mol×K | 799.91 | Joback Calculated Property |
| Cp,gas | 542.02 | J/mol×K | 839.58 | Joback Calculated Property |
| Cp,gas | 552.68 | J/mol×K | 879.25 | Joback Calculated Property |
| Cp,gas | 562.42 | J/mol×K | 918.93 | Joback Calculated Property |
| Cp,gas | 571.29 | J/mol×K | 958.60 | Joback Calculated Property |
| Cp,gas | 579.34 | J/mol×K | 998.27 | Joback Calculated Property |
| Cp,gas | 586.61 | J/mol×K | 1037.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 4-nitrophenyl ester.
Sources
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