- InChI
- InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12)
- InChI Key
- QBHBHOSRLDPIHG-UHFFFAOYSA-N
- Formula
- C8H7NO5
- SMILES
-
O=C(O)Cc1ccc(O)c([N+](=O)[O-])
c1 - Molecular Weight1
- 197.14
- CAS
- 10463-20-4
- Other Names
-
- 3-Nitro-4-hydroxy phenylacetic acid
- Benzeneacetic acid, 4-hydroxy-3-nitro-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8743 | Relay (1.0) Calculated Property | |
| ΔfG° | -265.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.927 | Crippen Calculated Property | |
| McVol | 130.550 | ml/mol | McGowan Calculated Property |
| Pc | 5454.60 | kPa | Joback Calculated Property |
| Tboil | 559.24 | K | Relay (1.0) Calculated Property |
| Tc | 879.46 | K | Relay (1.0) Calculated Property |
| Tfus | 397.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.442 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [352.02; 391.41] | J/mol×K | [792.61; 1029.34] | 
|
| Cp,gas | 352.02 | J/mol×K | 792.61 | Joback Calculated Property |
| Cp,gas | 359.28 | J/mol×K | 832.06 | Joback Calculated Property |
| Cp,gas | 366.15 | J/mol×K | 871.52 | Joback Calculated Property |
| Cp,gas | 372.71 | J/mol×K | 910.97 | Joback Calculated Property |
| Cp,gas | 379.05 | J/mol×K | 950.43 | Joback Calculated Property |
| Cp,gas | 385.25 | J/mol×K | 989.88 | Joback Calculated Property |
| Cp,gas | 391.41 | J/mol×K | 1029.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-3-nitrophenylacetic acid.
Sources
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