- InChI
- InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
- InChI Key
- MEDSHTHCZIOVPU-UHFFFAOYSA-N
- Formula
- C9H7ClO
- SMILES
- O=C1CCc2cc(Cl)ccc21
- Molecular Weight1
- 166.60
- CAS
- 42348-86-7
- Other Names
-
- 1H-Inden-1-one, 5-chloro-2,3-dihydro-
- 1-Indanone, 5-chloro-
- 5-Chloro-2,3-dihydro-1H-inden-1-one
- 5-Chloro-indan-1-one
- 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 | 0.4657 | Relay (... Calculated Property | |
| ΔfG° | 51.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.02 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.64 | kJ/mol | Relay (... Calculated Property |
| IE | 9.18 | eV | Relay (... Calculated Property |
| log10WS | -3.30 | Relay (... Calculated Property | |
| logPoct/wat | 2.469 | Crippen Calculated Property | |
| McVol | 116.860 | ml/mol | McGowan Calculated Property |
| Pc | 3810.39 | kPa | Joback Calculated Property |
| Tboil | 549.01 | K | Relay (... Calculated Property |
| Tc | 803.40 | K | Relay (... Calculated Property |
| Tfus | 338.06 | K | Relay (... Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.71; 308.98] | J/mol×K | [558.62; 809.60] | 
|
| Cp,gas | 247.71 | J/mol×K | 558.62 | Joback Calculated Property |
| Cp,gas | 259.92 | J/mol×K | 600.45 | Joback Calculated Property |
| Cp,gas | 271.27 | J/mol×K | 642.28 | Joback Calculated Property |
| Cp,gas | 281.81 | J/mol×K | 684.11 | Joback Calculated Property |
| Cp,gas | 291.58 | J/mol×K | 725.94 | Joback Calculated Property |
| Cp,gas | 300.62 | J/mol×K | 767.77 | Joback Calculated Property |
| Cp,gas | 308.98 | J/mol×K | 809.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chloro-1-indanone.
Sources
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