- InChI
- InChI=1S/C20H27NO5/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3
- InChI Key
- KLOIYEQEVSIOOO-UHFFFAOYSA-N
- Formula
- C20H27NO5
- SMILES
-
CCOC(=O)COc1ccc2c(C)c(CCN(CC)C
C)c(=O)oc2c1 - Molecular Weight1
- 361.43
- CAS
- 804-10-4
- Other Names
-
- carbocromen
- 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 | 0.9444 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.88 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -763.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 119.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 284.470 | ml/mol | McGowan Calculated Property |
| Pc | 1235.57 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [2820.00; 2853.00] |
|
|
| Inp | 2853.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Inp | 2853.00 | NIST | |
| Inp | 2820.00 | NIST | |
| Tboil | 712.73 | K | Relay (1.0) Calculated Property |
| Tc | 907.51 | K | Relay (1.0) Calculated Property |
| Tfus | 362.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.046 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Chromonar.
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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