- InChI
- InChI=1S/C13H14ClNO2/c1-3-15(4-2)10-6-5-9-7-11(14)13(16)17-12(9)8-10/h5-8H,3-4H2,1-2H3
- InChI Key
- CZUSPFIQJDLTQE-UHFFFAOYSA-N
- Formula
- C13H14ClNO2
- SMILES
- CCN(CC)c1ccc2cc(Cl)c(=O)oc2c1
- Molecular Weight1
- 251.71
- CAS
- 133590-12-2
- 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 | 0.6348 | Relay (... Calculated Property | |
| ΔfG° | 21.21 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -253.31 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 96.70 | kJ/mol | Relay (... Calculated Property |
| IE | 7.53 | eV | NIST |
| log10WS | -4.55 | Relay (... Calculated Property | |
| logPoct/wat | 3.293 | Crippen Calculated Property | |
| McVol | 184.770 | ml/mol | McGowan Calculated Property |
| Pc | 2345.35 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 628.37 | K | Relay (... Calculated Property |
| Tc | 867.55 | K | Relay (... Calculated Property |
| Tfus | 406.82 | K | Relay (... Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Coumarin, 3-chloro-7-diethylamino-.
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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