- InChI
- InChI=1S/C11H12ClNO4/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
- XBBBWKBYQVWSPV-UHFFFAOYSA-N
- Formula
- C11H12ClNO4
- SMILES
-
O=C(CCCCCl)Oc1ccc([N+](=O)[O-]
)cc1 - Molecular Weight1
- 257.67
- 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° | -65.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.15 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 2.909 | Crippen Calculated Property | |
| McVol | 179.190 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Inp | 2043.00 | NIST | |
| Tboil | 748.30 | K | Joback Calculated Property |
| Tc | 983.47 | K | Joback Calculated Property |
| Tfus | 498.36 | K | Joback Calculated Property |
| Vc | 0.699 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.32; 524.48] | J/mol×K | [748.30; 983.47] | 
|
| Cp,gas | 468.32 | J/mol×K | 748.30 | Joback Calculated Property |
| Cp,gas | 479.93 | J/mol×K | 787.50 | Joback Calculated Property |
| Cp,gas | 490.60 | J/mol×K | 826.69 | Joback Calculated Property |
| Cp,gas | 500.36 | J/mol×K | 865.89 | Joback Calculated Property |
| Cp,gas | 509.24 | J/mol×K | 905.08 | Joback Calculated Property |
| Cp,gas | 517.27 | J/mol×K | 944.28 | Joback Calculated Property |
| Cp,gas | 524.48 | J/mol×K | 983.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 4-nitrophenyl ester.
Sources
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