- InChI
- InChI=1S/C8H12ClF2NO3/c1-3-15-6(13)4-5(2)12-7(14)8(9,10)11/h5H,3-4H2,1-2H3,(H,12,14)
- InChI Key
- BNMLRMKMRHPUHB-UHFFFAOYSA-N
- Formula
- C8H12ClF2NO3
- SMILES
- CCOC(=O)CC(C)NC(=O)C(F)(F)Cl
- Molecular Weight1
- 243.64
- 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° | -658.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -934.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.276 | Crippen Calculated Property | |
| McVol | 158.350 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Inp | 1280.00 | NIST | |
| Tboil | 595.07 | K | Joback Calculated Property |
| Tc | 783.02 | K | Joback Calculated Property |
| Tfus | 373.19 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [391.66; 448.29] | J/mol×K | [595.07; 783.02] | 
|
| Cp,gas | 391.66 | J/mol×K | 595.07 | Joback Calculated Property |
| Cp,gas | 402.64 | J/mol×K | 626.39 | Joback Calculated Property |
| Cp,gas | 412.97 | J/mol×K | 657.72 | Joback Calculated Property |
| Cp,gas | 422.68 | J/mol×K | 689.04 | Joback Calculated Property |
| Cp,gas | 431.79 | J/mol×K | 720.37 | Joback Calculated Property |
| Cp,gas | 440.32 | J/mol×K | 751.69 | Joback Calculated Property |
| Cp,gas | 448.29 | J/mol×K | 783.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Aminobutanoic acid, N-chlorodifluoroacetyl-, ethyl ester.
Sources
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