- InChI
- InChI=1S/C20H24ClNO2/c1-22-11-10-15-12-19(23-2)20(24-3)13-17(15)18(22)9-6-14-4-7-16(21)8-5-14/h4-5,7-8,12-13,18H,6,9-11H2,1-3H3
- InChI Key
- YBCPYHQFUMNOJG-UHFFFAOYSA-N
- Formula
- C20H24ClNO2
- SMILES
-
COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc
1)N(C)CC2 - Molecular Weight1
- 345.86
- CAS
- 2154-02-1
- 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).
- 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 | 0.7381 | Relay (1.0) Calculated Property | |
| ΔfG° | 159.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -153.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 122.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.519 | Crippen Calculated Property | |
| McVol | 268.240 | ml/mol | McGowan Calculated Property |
| Pc | 1473.04 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2635.00; 2635.00] |
|
|
| Inp | 2635.00 | NIST | |
| Inp | 2635.00 | NIST | |
| Tboil | 687.59 | K | Relay (1.0) Calculated Property |
| Tc | 939.99 | K | Relay (1.0) Calculated Property |
| Tfus | 396.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.961 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Metofoline.
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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