- InChI
- InChI=1S/C14H12ClNO/c15-12-6-7-14-11(8-12)9-16(10-17-14)13-4-2-1-3-5-13/h1-8H,9-10H2
- InChI Key
- ANDMOXODDHVMFN-UHFFFAOYSA-N
- Formula
- C14H12ClNO
- SMILES
- Clc1ccc2c(c1)CN(c1ccccc1)CO2
- Molecular Weight1
- 245.70
- CAS
- 51892-04-7
- Other Names
-
- 6-Chloro-3-phenyl-3,4-dihydro-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 | 0.5016 | Relay (... Calculated Property | |
| ΔfG° | 229.74 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 76.73 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.65 | kJ/mol | Relay (... Calculated Property |
| IE | 7.56 | eV | Relay (... Calculated Property |
| log10WS | -4.67 | Relay (... Calculated Property | |
| logPoct/wat | 3.696 | Crippen Calculated Property | |
| McVol | 177.830 | ml/mol | McGowan Calculated Property |
| Pc | 3103.50 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 632.83 | K | Relay (... Calculated Property |
| Tc | 908.48 | K | Relay (... Calculated Property |
| Tfus | 374.35 | K | Relay (... Calculated Property |
| Vc | 0.644 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2H-1,3-Benzoxazine, 6-chloro-3,4-dihydro-3-phenyl-.
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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