- InChI
- InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)
- InChI Key
- WQMLUHZFRFCQDB-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
-
O=C(O)CCCc1ccc([N+](=O)[O-])cc
1 - Molecular Weight1
- 209.20
- CAS
- 5600-62-4
- Other Names
-
- «gamma»-(p-Nitrophenyl)butyric acid
- 4-(p-Nitrophenyl)butyric acid
- Benzenebutanoic acid, 4-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 | 0.8479 | Relay (1.0) Calculated Property | |
| ΔfG° | -94.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -348.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.002 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 3480.65 | kPa | Joback Calculated Property |
| Tboil | 586.13 | K | Relay (1.0) Calculated Property |
| Tc | 842.38 | K | Relay (1.0) Calculated Property |
| Tfus | 364.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.534 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.30; 464.33] | J/mol×K | [757.75; 979.90] | 
|
| Cp,gas | 416.30 | J/mol×K | 757.75 | Joback Calculated Property |
| Cp,gas | 426.00 | J/mol×K | 794.78 | Joback Calculated Property |
| Cp,gas | 434.98 | J/mol×K | 831.80 | Joback Calculated Property |
| Cp,gas | 443.25 | J/mol×K | 868.83 | Joback Calculated Property |
| Cp,gas | 450.88 | J/mol×K | 905.85 | Joback Calculated Property |
| Cp,gas | 457.89 | J/mol×K | 942.88 | Joback Calculated Property |
| Cp,gas | 464.33 | J/mol×K | 979.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Nitrophenyl)butyric acid.
Sources
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