- InChI
- InChI=1S/C12H18ClF2NO3/c1-2-19-10(17)9(8-6-4-3-5-7-8)16-11(18)12(13,14)15/h8-9H,2-7H2,1H3,(H,16,18)
- InChI Key
- OTKQMSIYEJDWKH-UHFFFAOYSA-N
- Formula
- C12H18ClF2NO3
- SMILES
-
CCOC(=O)C(NC(=O)C(F)(F)Cl)C1CC
CCC1 - Molecular Weight1
- 297.73
- ω : Acentric Factor.
- 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).
- 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 | 0.5104 | Relay (1.0) Calculated Property | |
| ΔfG° | -599.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1111.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.446 | Crippen Calculated Property | |
| McVol | 203.850 | ml/mol | McGowan Calculated Property |
| Pc | 2177.49 | kPa | Joback Calculated Property |
| Inp | 1628.00 | NIST | |
| Tboil | 549.71 | K | Relay (1.0) Calculated Property |
| Tc | 748.46 | K | Relay (1.0) Calculated Property |
| Tfus | 348.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [584.27; 659.79] | J/mol×K | [706.14; 913.46] | 
|
| Cp,gas | 584.27 | J/mol×K | 706.14 | Joback Calculated Property |
| Cp,gas | 599.46 | J/mol×K | 740.69 | Joback Calculated Property |
| Cp,gas | 613.55 | J/mol×K | 775.25 | Joback Calculated Property |
| Cp,gas | 626.59 | J/mol×K | 809.80 | Joback Calculated Property |
| Cp,gas | 638.61 | J/mol×K | 844.35 | Joback Calculated Property |
| Cp,gas | 649.66 | J/mol×K | 878.90 | Joback Calculated Property |
| Cp,gas | 659.79 | J/mol×K | 913.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-«alpha»-Cyclohexylglycine, N-chlorodifluoroacetyl-, ethyl ester.
Sources
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