- InChI
- InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
- InChI Key
- CCTJHVLTAJTPBV-UHFFFAOYSA-N
- Formula
- C10H5ClO2
- SMILES
- O=C1C=C(Cl)C(=O)c2ccccc21
- Molecular Weight1
- 192.60
- CAS
- 1010-60-2
- 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 | 0.4760 | Relay (1.0) Calculated Property | |
| ΔfG° | -44.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.60; 9.80] | eV |
|
| IE | 9.60 | eV | NIST |
| IE | 9.80 ± 0.02 | eV | NIST |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.188 | Crippen Calculated Property | |
| McVol | 128.220 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Tboil | 573.08 | K | Relay (1.0) Calculated Property |
| Tc | 856.70 | K | Relay (1.0) Calculated Property |
| Tfus | 414.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.20; 350.72] | J/mol×K | [652.75; 923.21] |
|
| Cp,gas | 292.20 | J/mol×K | 652.75 | Joback Calculated Property |
| Cp,gas | 304.38 | J/mol×K | 697.83 | Joback Calculated Property |
| Cp,gas | 315.60 | J/mol×K | 742.90 | Joback Calculated Property |
| Cp,gas | 325.87 | J/mol×K | 787.98 | Joback Calculated Property |
| Cp,gas | 335.15 | J/mol×K | 833.05 | Joback Calculated Property |
| Cp,gas | 343.44 | J/mol×K | 878.13 | Joback Calculated Property |
| Cp,gas | 350.72 | J/mol×K | 923.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloro-1,4-naphthoquinone.
Sources
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