- InChI
- InChI=1S/C18H16F5NO2/c1-3-24(11-6-4-5-10(2)9-11)7-8-26-18(25)12-13(19)15(21)17(23)16(22)14(12)20/h4-6,9H,3,7-8H2,1-2H3
- InChI Key
- MBIZDDGNLXPDRM-UHFFFAOYSA-N
- Formula
- C18H16F5NO2
- SMILES
-
CCN(CCOC(=O)c1c(F)c(F)c(F)c(F)
c1F)c1cccc(C)c1 - Molecular Weight1
- 373.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| ΔfG° | -829.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1168.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.82 | Crippen Calculated Property | |
| logPoct/wat | 4.374 | Crippen Calculated Property | |
| McVol | 243.230 | ml/mol | McGowan Calculated Property |
| Pc | 1531.86 | kPa | Joback Calculated Property |
| Inp | 2069.00 | NIST | |
| Tboil | 779.56 | K | Joback Calculated Property |
| Tc | 972.47 | K | Joback Calculated Property |
| Tfus | 528.16 | K | Joback Calculated Property |
| Vc | 0.960 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.11; 766.46] | J/mol×K | [779.56; 972.47] | 
|
| Cp,gas | 700.11 | J/mol×K | 779.56 | Joback Calculated Property |
| Cp,gas | 713.28 | J/mol×K | 811.71 | Joback Calculated Property |
| Cp,gas | 725.58 | J/mol×K | 843.86 | Joback Calculated Property |
| Cp,gas | 737.02 | J/mol×K | 876.02 | Joback Calculated Property |
| Cp,gas | 747.64 | J/mol×K | 908.17 | Joback Calculated Property |
| Cp,gas | 757.44 | J/mol×K | 940.32 | Joback Calculated Property |
| Cp,gas | 766.46 | J/mol×K | 972.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Ethyl(m-tolyl)amino)ethyl 2,3,4,5,6-pentafluorobenzoate.
Sources
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