- InChI
- InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3
- InChI Key
- UIMOXRDVWDLOHW-UHFFFAOYSA-N
- Formula
- C14H14F3NO2
- SMILES
-
CCN(CC)c1ccc2c(C(F)(F)F)cc(=O)
oc2c1 - Molecular Weight1
- 285.26
- CAS
- 41934-47-8
- Other Names
-
- 7-(Diethylamino)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
- 7-(diethylamino)-4-(trifluoromethyl)-2-benzopyrone
- 4-Trifluoromethyl-7-(N,N-diethylamino)coumarin
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 | 0.6641 | Relay (... Calculated Property | |
| ΔfG° | -548.04 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -862.84 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 92.72 | kJ/mol | Relay (... Calculated Property |
| IE | 7.65 | eV | Relay (... Calculated Property |
| log10WS | -4.52 | Relay (... Calculated Property | |
| logPoct/wat | 3.658 | Crippen Calculated Property | |
| McVol | 191.930 | ml/mol | McGowan Calculated Property |
| Pc | 1797.84 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 627.47 | K | Relay (... Calculated Property |
| Tc | 820.50 | K | Relay (... Calculated Property |
| Tfus | 355.59 | K | Relay (... Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 23.30 | kJ/mol | 360.00 | NIST |
Similar Compounds
Find more compounds similar to 2H-1-Benzopyran-2-one, 7-(diethylamino)-4-(trifluoromethyl)-.
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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