- InChI
- InChI=1S/C9H8ClNO3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
- InChI Key
- COYZIYOEXGRBHQ-UHFFFAOYSA-N
- Formula
- C9H8ClNO3
- SMILES
- O=C(O)CNC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 213.62
- CAS
- 13450-77-6
- 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 | 0.7822 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.154 | Crippen Calculated Property | |
| McVol | 145.140 | ml/mol | McGowan Calculated Property |
| Pc | 4046.64 | kPa | Joback Calculated Property |
| Tboil | 591.45 | K | Relay (1.0) Calculated Property |
| Tc | 851.51 | K | Relay (1.0) Calculated Property |
| Tfus | 464.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.503 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.65; 395.90] | J/mol×K | [724.50; 938.69] | 
|
| Cp,gas | 355.65 | J/mol×K | 724.50 | Joback Calculated Property |
| Cp,gas | 363.83 | J/mol×K | 760.20 | Joback Calculated Property |
| Cp,gas | 371.38 | J/mol×K | 795.90 | Joback Calculated Property |
| Cp,gas | 378.33 | J/mol×K | 831.60 | Joback Calculated Property |
| Cp,gas | 384.72 | J/mol×K | 867.29 | Joback Calculated Property |
| Cp,gas | 390.56 | J/mol×K | 902.99 | Joback Calculated Property |
| Cp,gas | 395.90 | J/mol×K | 938.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hippuric acid, p-chloro-.
Sources
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