- InChI
- InChI=1S/C15H20ClNO/c1-11-7-13(16)8-12-9-17(10-18-15(11)12)14-5-3-2-4-6-14/h7-8,14H,2-6,9-10H2,1H3
- InChI Key
- HLFBMVRLQWNGLY-UHFFFAOYSA-N
- Formula
- C15H20ClNO
- SMILES
- Cc1cc(Cl)cc2c1OCN(C1CCCCC1)C2
- Molecular Weight1
- 265.78
- CAS
- 6640-34-2
- Other Names
-
- 6-Chloro-3-cyclohexyl-3,4-dihydro-8-methyl-2H-1,3-benzoxazine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5046 | Relay (... Calculated Property | |
| ΔfG° | 144.90 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -129.03 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 84.87 | kJ/mol | Relay (... Calculated Property |
| IE | 7.97 | eV | Relay (... Calculated Property |
| log10WS | -4.05 | Relay (... Calculated Property | |
| logPoct/wat | 4.133 | Crippen Calculated Property | |
| McVol | 204.820 | ml/mol | McGowan Calculated Property |
| Pc | 2196.31 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 627.78 | K | Relay (... Calculated Property |
| Tc | 869.74 | K | Relay (... Calculated Property |
| Tfus | 375.29 | K | Relay (... Calculated Property |
| Vc | 0.739 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1,3-Benzoxazine, 6-chloro-3-cyclohexyl-3,4-dihydro-8-methyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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