- InChI
- InChI=1S/C14H16ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h5,7-9,16H,2-4,6H2,1H3
- InChI Key
- CZSVMGRCLAQSME-UHFFFAOYSA-N
- Formula
- C14H16ClNO
- SMILES
- CNc1ccc(Cl)cc1C(=O)C1=CCCCC1
- Molecular Weight1
- 249.74
- CAS
- 97994-57-5
- Other Names
-
- 1-Cyclohexenyl 5-chloro-2-methylaminophenyl ketone
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5742 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -80.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.065 | Crippen Calculated Property | |
| McVol | 192.990 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | [2189.00; 2247.00] |
|
|
| Inp | 2189.00 | NIST | |
| Inp | 2232.00 | NIST | |
| Inp | 2203.00 | NIST | |
| Inp | 2247.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 620.13 | K | Relay (1.0) Calculated Property |
| Tc | 880.02 | K | Relay (1.0) Calculated Property |
| Tfus | 355.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.84; 588.41] | J/mol×K | [726.19; 969.55] |
|
| Cp,gas | 512.84 | J/mol×K | 726.19 | Joback Calculated Property |
| Cp,gas | 528.32 | J/mol×K | 766.75 | Joback Calculated Property |
| Cp,gas | 542.57 | J/mol×K | 807.31 | Joback Calculated Property |
| Cp,gas | 555.64 | J/mol×K | 847.87 | Joback Calculated Property |
| Cp,gas | 567.59 | J/mol×K | 888.43 | Joback Calculated Property |
| Cp,gas | 578.49 | J/mol×K | 928.99 | Joback Calculated Property |
| Cp,gas | 588.41 | J/mol×K | 969.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(5'-Chloro-2'-methylaminobenzoyl)-cyclohex-1-ene.
Sources
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